An aromatic heterocyclic compound, and a pharmaceutical composition and an application thereof. Specifically disclosed are a compound as represented by formula I-A, a stereoisomer thereof, a diastereoisomer thereof, or a pharmaceutically acceptable salt of any one of the described substances, or a crystalline form or a solvate of any one of the described substances. The aromatic heterocyclic compound is novel in structure, and has good CDK7 inhibitory activity and good selectivity.
An aromatic heterocyclic compound, and a pharmaceutical composition and an application thereof. Specifically disclosed are a compound as represented by formula I-A, a stereoisomer thereof, a diastereoisomer thereof, or a pharmaceutically acceptable salt of any one of the described substances, or a crystalline form or a solvate of any one of the described substances. The aromatic heterocyclic compound is novel in structure, and has good CDK7 inhibitory activity and good selectivity.
C07F 9/6558 - Composés hétérocycliques, p. ex. contenant du phosphore comme hétéro-atome du cycle contenant au moins deux hétérocycles différents ou différemment substitués ni condensés entre eux ni condensés avec un carbocycle commun ou un système carbocyclique commun
C07D 519/00 - Composés hétérocycliques contenant plusieurs systèmes de plusieurs hétérocycles déterminants condensés entre eux ou condensés avec un système carbocyclique commun non prévus dans les groupes ou
A method for computational drug design by active learning includes defining a population of compounds, defining a training set of compounds from the population for which a plurality of biological properties are known, and defining a plurality of objectives each defining a desired biological property. The method includes training, using the training set, a Bayesian statistical model to output a probability distribution approximating biological properties of compounds in the population as an objective function of structural features of the compounds in the population. The method includes determining, from the population, a subset of compounds that are not in the training set. The subset is determined according to an optimization of an acquisition function based on the probability distribution from the trained Bayesian statistical model and based on the defined objectives. The method includes selecting at least some of the compounds in the determined subset for synthesis.
A method for computational drug target selection includes ingesting publication data from at least one publication data source, the publication data relating to a plurality of publication documents including historical publication documents and current publication documents. The method includes searching the publication data to provide an indication, for each of the publication documents, as to whether the respective publication document is associated with one or more drug targets. The method includes determining an expected publication parameter for each of the one or more drug targets based on the searched publication data from the historical publication documents, and determining an actual publication parameter for each of the one or more drug targets based on the searched publication data from the current publication documents. The method includes evaluating each of the one or more drug targets for selection based on its actual publication parameter relative to its expected publication parameter.
G16H 70/40 - TIC spécialement adaptées au maniement ou au traitement de références médicales concernant des médicaments, p. ex. leurs effets secondaires ou leur usage prévu
A method for computational drug design includes defining a population of a plurality of compounds. Each compound includes one or more molecular properties. The method includes defining a training set of compounds from the population for which one or more biological properties are known. The method includes selecting, from the population, a subset of one or more compounds that are not in the training set. The method includes determining a subset score of the selected subset based on molecular properties of the one or more compounds in the selected subset, and evaluating the selected subset based on the determined subset score. The subset score is determined based on a frequency of the molecular properties in the population and on a frequency of the molecular properties in a sampled set comprising the training set and the selected subset.
42 - Services scientifiques, technologiques et industriels, recherche et conception
Produits et services
Scientific research services conducted by means of
crowdsourcing in the field of cellular phenotypes;
pharmaceutical research and development services conducted
by means of crowdsourcing, namely identification and
development of novel cellular phenotypes for drug discovery
purposes.
05 - Produits pharmaceutiques, vétérinaires et hygièniques
09 - Appareils et instruments scientifiques et électriques
42 - Services scientifiques, technologiques et industriels, recherche et conception
44 - Services médicaux, services vétérinaires, soins d'hygiène et de beauté; services d'agriculture, d'horticulture et de sylviculture.
Produits et services
Pharmaceuticals, medical and veterinary preparations;
sanitary preparations for medical purposes; dietetic food
and substances adapted for medical or veterinary use, food
for babies; dietary supplements for human beings and
animals; plasters, materials for dressings; material for
stopping teeth, dental wax; disinfectants; preparations for
destroying vermin; fungicides, herbicides; pharmaceutical,
veterinary and sanitary substances and preparations. Computer software; computer software for use in molecular
research; computer software for use in the research and
development of pharmaceutical products; computer software
for cell analysis; computer software for the use in managing
scientific projects; computer software for the design of
chemical structures; computer software for the analysis of
biological or chemical activity; artificial intelligence
software for healthcare, pharmaceuticals and diagnostics. Scientific and technological services and research and
design relating thereto; industrial analysis, industrial
research and industrial design services; quality control and
authentication services; design and development of computer
hardware and software; bioinformatic services for use in
science and research; computer assisted molecule design;
identification of biological targets, networks and pathways;
chemical and biological research and analysis;
pharmaceutical research and development services. Medical diagnostic and screening services.
42 - Services scientifiques, technologiques et industriels, recherche et conception
Produits et services
Scientific research services conducted by means of crowdsourcing in the field of cellular phenotypes; pharmaceutical research and development services conducted by means of crowdsourcing, namely, identification and development of novel cellular phenotypes for drug discovery purposes
8.
AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF
An aromatic heterocyclic compound, and a pharmaceutical composition and an application thereof. Specifically disclosed are a compound as represented by formula I-A, a stereoisomer thereof, a diastereoisomer thereof, or a pharmaceutically acceptable salt of any one of the described substances, or a crystalline form or a solvate of any one of the described substances. The aromatic heterocyclic compound is novel in structure, and has good CDK7 inhibitory activity and good selectivity.
C07D 401/14 - Composés hétérocycliques contenant plusieurs hétérocycles comportant des atomes d'azote comme uniques hétéro-atomes du cycle, au moins un cycle étant un cycle à six chaînons avec un unique atome d'azote contenant au moins trois hétérocycles
An aromatic heterocyclic compound, a pharmaceutical composition and use thereof. Specifically disclosed are a compound as shown in formula I, a stereoisomer thereof, a diastereomer thereof, or a pharmaceutically acceptable salt of any one of the foregoing, or a crystal form or solvate of any one of the foregoing. The aromatic heterocyclic compound has a novel structure, good CDK7 inhibitory activity, and good selectivity.
C07D 401/14 - Composés hétérocycliques contenant plusieurs hétérocycles comportant des atomes d'azote comme uniques hétéro-atomes du cycle, au moins un cycle étant un cycle à six chaînons avec un unique atome d'azote contenant au moins trois hétérocycles
C07D 413/14 - Composés hétérocycliques contenant plusieurs hétérocycles, au moins un cycle comportant des atomes d'azote et d'oxygène comme uniques hétéro-atomes du cycle contenant au moins trois hétérocycles
C07D 417/14 - Composés hétérocycliques contenant plusieurs hétérocycles, au moins un cycle comportant des atomes de soufre et d'azote comme uniques hétéro-atomes du cycle, non prévus par le groupe contenant au moins trois hétérocycles
05 - Produits pharmaceutiques, vétérinaires et hygièniques
09 - Appareils et instruments scientifiques et électriques
42 - Services scientifiques, technologiques et industriels, recherche et conception
44 - Services médicaux, services vétérinaires, soins d'hygiène et de beauté; services d'agriculture, d'horticulture et de sylviculture.
Produits et services
Pharmaceuticals, medical and veterinary preparations;
sanitary preparations for medical purposes; dietetic food
and substances adapted for medical or veterinary use, food
for babies; dietary supplements for human beings and
animals; plasters, materials for dressings; material for
stopping teeth, dental wax; disinfectants; preparations for
destroying vermin; fungicides, herbicides; pharmaceutical,
veterinary and sanitary substances and preparations. Computer software; computer software for use in molecular
research; computer software for use in the research and
development of pharmaceutical products; computer software
for cell analysis; computer software for the use in managing
scientific projects; computer software for the design of
chemical structures; computer software for the analysis of
biological or chemical activity; artificial intelligence
software for healthcare, pharmaceuticals and diagnostics. Scientific and technological services and research and
design relating thereto; industrial analysis, industrial
research and industrial design services; quality control and
authentication services; design and development of computer
hardware and software; bioinformatic services; computer
assisted molecule design; identification of biological
targets, networks and pathways; chemical and biological
research and analysis; pharmaceutical research and
development services. Medical diagnostic and screening services.
Disclosed are compounds, compositions and methods for treating disease, syndromes, conditions and disorders that are affected by the modulation of MALT-1. Such compounds are represented by Formula (I) and Formula (II), wherein the variables are defined herein.
A61K 31/4353 - Composés hétérocycliques ayant l'azote comme hétéro-atome d'un cycle, p. ex. guanéthidine ou rifamycines ayant des cycles à six chaînons avec un azote comme seul hétéro-atome d'un cycle condensés en ortho ou en péri avec des systèmes hétérocycliques
A61K 31/519 - PyrimidinesPyrimidines hydrogénées, p. ex. triméthoprime condensées en ortho ou en péri avec des hétérocycles
A61P 29/02 - Agents analgésiques, antipyrétiques ou anti-inflammatoires non centraux, p. ex. agents antirhumatismauxMédicaments anti-inflammatoires non stéroïdiens [AINS] sans effet anti-inflammatoire
05 - Produits pharmaceutiques, vétérinaires et hygièniques
09 - Appareils et instruments scientifiques et électriques
42 - Services scientifiques, technologiques et industriels, recherche et conception
44 - Services médicaux, services vétérinaires, soins d'hygiène et de beauté; services d'agriculture, d'horticulture et de sylviculture.
Produits et services
Pharmaceuticals, medical and veterinary preparations;
sanitary preparations for medical purposes; dietetic food
and substances adapted for medical or veterinary use, food
for babies; dietary supplements for human beings and
animals; plasters, materials for dressings; material for
stopping teeth, dental wax; disinfectants; preparations for
destroying vermin; fungicides, herbicides; pharmaceutical,
veterinary and sanitary substances and preparations. Computer software; computer software for use in molecular
research; computer software for use in the research and
development of pharmaceutical products; computer software
for cell analysis; computer software for the use in managing
scientific projects; computer software for the design of
chemical structures; computer software for the analysis of
biological or chemical activity; artificial intelligence
software for healthcare, pharmaceuticals and diagnostics. Scientific and technological services and research and
design relating thereto; industrial analysis, industrial
research and industrial design services; quality control and
authentication services; design and development of computer
hardware and software; bioinformatic services; computer
assisted molecule design; identification of biological
targets, networks and pathways; chemical and biological
research and analysis; pharmaceutical research and
development services. Medical diagnostic and screening services.
05 - Produits pharmaceutiques, vétérinaires et hygièniques
09 - Appareils et instruments scientifiques et électriques
42 - Services scientifiques, technologiques et industriels, recherche et conception
44 - Services médicaux, services vétérinaires, soins d'hygiène et de beauté; services d'agriculture, d'horticulture et de sylviculture.
Produits et services
Pharmaceuticals, medical and veterinary preparations;
sanitary preparations for medical purposes; dietetic food
and substances adapted for medical or veterinary use, food
for babies; dietary supplements for human beings and
animals; plasters, materials for dressings; material for
stopping teeth, dental wax; disinfectants; preparations for
destroying vermin; fungicides, herbicides; pharmaceutical,
veterinary and sanitary substances and preparations. Computer software; computer software for use in molecular
research; computer software for use in the research and
development of pharmaceutical products; computer software
for cell analysis; computer software for the use in managing
scientific projects; computer software for the design of
chemical structures; computer software for the analysis of
biological or chemical activity; artificial intelligence
software for healthcare, pharmaceuticals and diagnostics. Scientific and technological services and research and
design relating thereto; industrial analysis, industrial
research and industrial design services; quality control and
authentication services; design and development of computer
hardware and software; bioinformatic services; computer
assisted molecule design; identification of biological
targets, networks and pathways; chemical and biological
research and analysis; pharmaceutical research and
development services. Medical diagnostic and screening services.
05 - Produits pharmaceutiques, vétérinaires et hygièniques
09 - Appareils et instruments scientifiques et électriques
42 - Services scientifiques, technologiques et industriels, recherche et conception
44 - Services médicaux, services vétérinaires, soins d'hygiène et de beauté; services d'agriculture, d'horticulture et de sylviculture.
Produits et services
Pharmaceutical preparations for the treatment of pain, viral diseases, namely, coronavirus, herpes, and hepatitis, cancer, lung cancer, pancreatic cancer, haematological cancer, colorectal cancer, breast cancer, bladder cancer, cervical cancer, gynecologic cancer, head and neck cancer, kidney cancer, liver cancer, myeloma, ovarian cancer, prostate cancer, skin cancer, thyroid cancer, uterine cancer, and neurological cancer, mental and physical disorders and conditions, namely, schizophrenia, mental health disorders, eating disorders and addictions, and nicotine addiction, skin conditions, namely, dermatitis, skin pigmentation diseases, psoriasis, and eczema, respiratory infections, eye infections, bacterial and parasitic infections, namely, malaria and tuberculosis, respiratory conditions, anxiety, arthritis, neurological diseases, namely, Huntington's disease, cerebral palsy, brain injury, spinal cord injury, and seizure disorders, immunologic diseases and disorders, namely Alzheimer's, Parkinson's disease, ulcerative colitis, multiples sclerosis, immuno-oncological diseases, atopic dermatitis, asthma, inflammatory bowel diseases (IBD), systemic lupus erythematosus (SLE), and chronic obstructive pulmonary diseases (COPD), musculoskeletal diseases, bone diseases, central nervous system (CNS) diseases, peripheral nervous system (PNS) diseases, and cardiovascular diseases and disorders; Medical preparations for the treatment of pain, viral diseases, namely, coronavirus, herpes, and hepatitis, cancer, lung cancer, pancreatic cancer, haematological cancer, colorectal cancer, breast cancer, bladder cancer, cervical cancer, gynecologic cancer, head and neck cancer, kidney cancer, liver cancer, myeloma, ovarian cancer, prostate cancer, skin cancer, thyroid cancer, uterine cancer, and neurological cancer, mental and physical disorders and conditions, namely, schizophrenia, mental health disorders, eating disorders and addictions, and nicotine addiction, skin conditions, namely, dermatitis, skin pigmentation diseases, psoriasis, and eczema, respiratory infections, eye infections, bacterial and parasitic infections, namely, malaria and tuberculosis, respiratory conditions, anxiety, arthritis, neurological diseases, namely, Huntington's disease, cerebral palsy, brain injury, spinal cord injury, and seizure disorders, immunologic diseases and disorders, namely Alzheimer's, Parkinson's disease, ulcerative colitis, multiples sclerosis, immuno-oncological diseases, atopic dermatitis, asthma, inflammatory bowel diseases (IBD), systemic lupus erythematosus (SLE), and chronic obstructive pulmonary diseases (COPD), musculoskeletal diseases, bone diseases, central nervous system (CNS) diseases, peripheral nervous system (PNS) diseases, and cardiovascular diseases and disorders; Veterinary preparations for the treatment of pain, viral diseases, namely, paramyxovirus, influenza A virus, coronavirus, herpes, and hepatitis, wounds, cancer, lung cancer, pancreatic cancer, haematological cancer, colorectal cancer, breast cancer, bladder cancer, cervical cancer, gynecologic cancer, head and neck cancer, kidney cancer, liver cancer, myeloma, ovarian cancer, prostate cancer, skin cancer, thyroid cancer, uterine cancer, and neurological cancer, mental and physical disorders and conditions, namely, mental health disorders, musculoskeletal diseases, bone diseases, central nervous system (CNS) diseases, cardiovascular diseases and disorders, skin conditions, namely, dermatitis, skin pigmentation diseases, psoriasis, and eczema, respiratory infections, eye infections, bacterial and parasitic infections, namely, malaria and tuberculosis, respiratory conditions, arthritis, inflammatory diseases, namely, inflammatory bowel diseases, and inflammatory connective tissue diseases, immunologic diseases and disorders, namely Alzheimer's, ulcerative colitis, immuno-oncological diseases, atopic dermatitis, asthma, inflammatory bowel diseases (IBD), systemic lupus erythematosus (SLE), and chronic obstructive pulmonary diseases (COPD), allergies, and anxiety; veterinary preparations, namely, vaccines for animals, and sanitary substances for medical use for the treatment of autoimmune diseases, autoimmune diseases, specifically psoriasis, arthritis, and Crohn's disease; sanitary preparations for medical purposes; dietetic food adapted for medical or veterinary use, food for babies; dietetic substances in the nature of dietetic food adapted for medical or veterinary use; Dietary supplements for human beings and animals; plasters for medical purposes; materials for dressings, namely, gauze, bandages; material for stopping teeth, dental wax; disinfectants; preparations for destroying vermin; fungicides, herbicides; pharmaceutical, veterinary and sanitary substances and preparations, namely, antifungals, antivirals, herbicides, antibiotics Downloadable computer software for analysis and interpretation of biological data using the combination of biology, computer science, information engineering, mathematics and statistics; Downloadable computer software for computer assisted molecule design; Downloadable computer software for chemical and biological research and analysis; Downloadable computer software for pharmaceutical research and development services; Downloadable computer software for diagnostic and screening services, namely, conducting diagnostic testing and evaluation of molecules developed through artificial intelligence means for scientific research purposes for use in the field of molecular research and to combat disease; downloadable computer software for use in the research and development of pharmaceutical products; downloadable computer software for cell analysis; downloadable computer software for the use in managing scientific projects; downloadable computer software for the design of chemical structures; downloadable computer software for the analysis of biological or chemical activity; downloadable artificial intelligence software for healthcare, pharmaceuticals and diagnostics Scientific and technological services, namely, scientific research, analysis, testing in the field of research and development of pharmaceutical products and molecule design and services relating thereto; industrial analysis and industrial research services in the field of research and development of pharmaceutical products, molecule design and robotics for lab automation and industrial design services; quality control and authentication services in the field of works of scientific research for others; design and development of computer hardware and software; Bioinformatic services, namely, analysis and interpretation of biological data using the combination of biology, computer science, information engineering, mathematics and statistics for others; computer assisted molecule design; identification of biological targets, networks and pathways; chemical and biological research and analysis; pharmaceutical research and development services; diagnostic and screening services, namely, conducting diagnostic testing and evaluation of molecules developed through artificial intelligence means for scientific research purposes to combat diseases Medical diagnostic testing and medical screening services
05 - Produits pharmaceutiques, vétérinaires et hygièniques
09 - Appareils et instruments scientifiques et électriques
42 - Services scientifiques, technologiques et industriels, recherche et conception
44 - Services médicaux, services vétérinaires, soins d'hygiène et de beauté; services d'agriculture, d'horticulture et de sylviculture.
Produits et services
Pharmaceutical preparations for the treatment of pain, viral diseases, namely, coronavirus, herpes, and hepatitis, cancer, lung cancer, pancreatic cancer, haematological cancer, colorectal cancer, breast cancer, bladder cancer, cervical cancer, gynecologic cancer, head and neck cancer, kidney cancer, liver cancer, myeloma, ovarian cancer, prostate cancer, skin cancer, thyroid cancer, uterine cancer, and neurological cancer, mental and physical disorders and conditions, namely, schizophrenia, mental health disorders, eating disorders and addictions, and nicotine addiction, skin conditions, namely, dermatitis, skin pigmentation diseases, psoriasis, and eczema, respiratory infections, eye infections, bacterial and parasitic infections, namely, malaria and tuberculosis, respiratory conditions, anxiety, arthritis, neurological diseases, namely, Huntington's disease, cerebral palsy, brain injury, spinal cord injury, and seizure disorders, immunologic diseases and disorders, namely Alzheimer's, Parkinson's disease, ulcerative colitis, multiples sclerosis, immuno-oncological diseases, atopic dermatitis, asthma, inflammatory bowel diseases (IBD), systemic lupus erythematosus (SLE), and chronic obstructive pulmonary diseases (COPD), musculoskeletal diseases, bone diseases, central nervous system (CNS) diseases, peripheral nervous system (PNS) diseases, and cardiovascular diseases and disorders; Medical preparations for the treatment of pain, viral diseases, namely, coronavirus, herpes, and hepatitis, cancer, lung cancer, pancreatic cancer, haematological cancer, colorectal cancer, breast cancer, bladder cancer, cervical cancer, gynecologic cancer, head and neck cancer, kidney cancer, liver cancer, myeloma, ovarian cancer, prostate cancer, skin cancer, thyroid cancer, uterine cancer, and neurological cancer, mental and physical disorders and conditions, namely, schizophrenia, mental health disorders, eating disorders and addictions, and nicotine addiction, skin conditions, namely, dermatitis, skin pigmentation diseases, psoriasis, and eczema, respiratory infections, eye infections, bacterial and parasitic infections, namely, malaria and tuberculosis, respiratory conditions, anxiety, arthritis, neurological diseases, namely, Huntington's disease, cerebral palsy, brain injury, spinal cord injury, and seizure disorders, immunologic diseases and disorders, namely Alzheimer's, Parkinson's disease, ulcerative colitis, multiples sclerosis, immuno-oncological diseases, atopic dermatitis, asthma, inflammatory bowel diseases (IBD), systemic lupus erythematosus (SLE), and chronic obstructive pulmonary diseases (COPD), musculoskeletal diseases, bone diseases, central nervous system (CNS) diseases, peripheral nervous system (PNS) diseases, and cardiovascular diseases and disorders; Veterinary preparations for the treatment of pain, viral diseases, namely, paramyxovirus, influenza A virus, coronavirus, herpes, and hepatitis, wounds, cancer, lung cancer, pancreatic cancer, haematological cancer, colorectal cancer, breast cancer, bladder cancer, cervical cancer, gynecologic cancer, head and neck cancer, kidney cancer, liver cancer, myeloma, ovarian cancer, prostate cancer, skin cancer, thyroid cancer, uterine cancer, and neurological cancer, mental and physical disorders and conditions, namely, mental health disorders, musculoskeletal diseases, bone diseases, central nervous system (CNS) diseases, cardiovascular diseases and disorders, skin conditions, namely, dermatitis, skin pigmentation diseases, psoriasis, and eczema, respiratory infections, eye infections, bacterial and parasitic infections, namely, malaria and tuberculosis, respiratory conditions, arthritis, inflammatory diseases, namely, inflammatory bowel diseases, and inflammatory connective tissue diseases, immunologic diseases and disorders, namely Alzheimer's, ulcerative colitis, immuno-oncological diseases, atopic dermatitis, asthma, inflammatory bowel diseases (IBD), systemic lupus erythematosus (SLE), and chronic obstructive pulmonary diseases (COPD), allergies, and anxiety; veterinary preparations, namely, vaccines for animals, and sanitary substances for medical use for the treatment of autoimmune diseases, autoimmune diseases, specifically psoriasis, arthritis, and Crohn's disease; sanitary preparations for medical purposes; dietetic food adapted for medical or veterinary use, food for babies; dietetic substances in the nature of dietetic food adapted for medical or veterinary use; Dietary supplements for human beings and animals; plasters for medical purposes; materials for dressings, namely, gauze, bandages; material for stopping teeth, dental wax; disinfectants; preparations for destroying vermin; fungicides, herbicides; pharmaceutical, veterinary and sanitary substances and preparations, namely, antifungals, antivirals, herbicides, antibiotics Downloadable computer software for analysis and interpretation of biological data using the combination of biology, computer science, information engineering, mathematics and statistics; Downloadable computer software for computer assisted molecule design; Downloadable computer software for chemical and biological research and analysis; Downloadable computer software for pharmaceutical research and development services; Downloadable computer software for diagnostic and screening services, namely, conducting diagnostic testing and evaluation of molecules developed through artificial intelligence means for scientific research purposes for use in the field of molecular research and to combat disease; downloadable computer software for use in the research and development of pharmaceutical products; downloadable computer software for cell analysis; downloadable computer software for the use in managing scientific projects; downloadable computer software for the design of chemical structures; downloadable computer software for the analysis of biological or chemical activity; downloadable artificial intelligence software for healthcare, pharmaceuticals and diagnostics Scientific and technological services, namely, scientific research, analysis, testing in the field of research and development of pharmaceutical products and molecule design and services relating thereto; industrial analysis and industrial research services in the field of research and development of pharmaceutical products, molecule design and robotics for lab automation and industrial design services; quality control and authentication services in the field of works of scientific research for others; design and development of computer hardware and software; Bioinformatic services, namely, analysis and interpretation of biological data using the combination of biology, computer science, information engineering, mathematics and statistics for others; computer assisted molecule design; identification of biological targets, networks and pathways; chemical and biological research and analysis; pharmaceutical research and development services; diagnostic and screening services, namely, conducting diagnostic testing and evaluation of molecules developed through artificial intelligence means for scientific research purposes to combat diseases Medical diagnostic testing and medical screening services
05 - Produits pharmaceutiques, vétérinaires et hygièniques
09 - Appareils et instruments scientifiques et électriques
42 - Services scientifiques, technologiques et industriels, recherche et conception
44 - Services médicaux, services vétérinaires, soins d'hygiène et de beauté; services d'agriculture, d'horticulture et de sylviculture.
Produits et services
Pharmaceutical preparations for the treatment of pain, viral diseases, namely, coronavirus, herpes, and hepatitis, cancer, lung cancer, pancreatic cancer, haematological cancer, colorectal cancer, breast cancer, bladder cancer, cervical cancer, gynecologic cancer, head and neck cancer, kidney cancer, liver cancer, myeloma, ovarian cancer, prostate cancer, skin cancer, thyroid cancer, uterine cancer, and neurological cancer, mental and physical disorders and conditions, namely, schizophrenia, mental health disorders, eating disorders and addictions, and nicotine addiction, skin conditions, namely, dermatitis, skin pigmentation diseases, psoriasis, and eczema, respiratory infections, eye infections, bacterial and parasitic infections, namely, malaria and tuberculosis, respiratory conditions, anxiety, arthritis, neurological diseases, namely, Huntington's disease, cerebral palsy, brain injury, spinal cord injury, and seizure disorders, immunologic diseases and disorders, namely Alzheimer's, Parkinson's disease, ulcerative colitis, multiples sclerosis, immuno-oncological diseases, atopic dermatitis, asthma, inflammatory bowel diseases (IBD), systemic lupus erythematosus (SLE), and chronic obstructive pulmonary diseases (COPD), musculoskeletal diseases, bone diseases, central nervous system (CNS) diseases, peripheral nervous system (PNS) diseases, and cardiovascular diseases and disorders; Medical preparations for the treatment of pain, viral diseases, namely, coronavirus, herpes, and hepatitis, cancer, lung cancer, pancreatic cancer, haematological cancer, colorectal cancer, breast cancer, bladder cancer, cervical cancer, gynecologic cancer, head and neck cancer, kidney cancer, liver cancer, myeloma, ovarian cancer, prostate cancer, skin cancer, thyroid cancer, uterine cancer, and neurological cancer, mental and physical disorders and conditions, namely, schizophrenia, mental health disorders, eating disorders and addictions, and nicotine addiction, skin conditions, namely, dermatitis, skin pigmentation diseases, psoriasis, and eczema, respiratory infections, eye infections, bacterial and parasitic infections, namely, malaria and tuberculosis, respiratory conditions, anxiety, arthritis, neurological diseases, namely, Huntington's disease, cerebral palsy, brain injury, spinal cord injury, and seizure disorders, immunologic diseases and disorders, namely Alzheimer's, Parkinson's disease, ulcerative colitis, multiples sclerosis, immuno-oncological diseases, atopic dermatitis, asthma, inflammatory bowel diseases (IBD), systemic lupus erythematosus (SLE), and chronic obstructive pulmonary diseases (COPD), musculoskeletal diseases, bone diseases, central nervous system (CNS) diseases, peripheral nervous system (PNS) diseases, and cardiovascular diseases and disorders; Veterinary preparations for the treatment of pain, viral diseases, namely, paramyxovirus, influenza A virus, coronavirus, herpes, and hepatitis, wounds, cancer, lung cancer, pancreatic cancer, haematological cancer, colorectal cancer, breast cancer, bladder cancer, cervical cancer, gynecologic cancer, head and neck cancer, kidney cancer, liver cancer, myeloma, ovarian cancer, prostate cancer, skin cancer, thyroid cancer, uterine cancer, and neurological cancer, mental and physical disorders and conditions, namely, mental health disorders, musculoskeletal diseases, bone diseases, central nervous system (CNS) diseases, cardiovascular diseases and disorders, skin conditions, namely, dermatitis, skin pigmentation diseases, psoriasis, and eczema, respiratory infections, eye infections, bacterial and parasitic infections, namely, malaria and tuberculosis, respiratory conditions, arthritis, inflammatory diseases, namely, inflammatory bowel diseases, and inflammatory connective tissue diseases, immunologic diseases and disorders, namely Alzheimer's, ulcerative colitis, immuno-oncological diseases, atopic dermatitis, asthma, inflammatory bowel diseases (IBD), systemic lupus erythematosus (SLE), and chronic obstructive pulmonary diseases (COPD), allergies, and anxiety; veterinary preparations, namely, vaccines for animals, and sanitary substances for medical use for the treatment of autoimmune diseases, autoimmune diseases, specifically psoriasis, arthritis, and Crohn's disease; sanitary preparations for medical purposes; dietetic food adapted for medical or veterinary use, food for babies; dietetic substances in the nature of dietetic food adapted for medical or veterinary use; Dietary supplements for human beings and animals; plasters for medical purposes; materials for dressings, namely, gauze, bandages; material for stopping teeth, dental wax; disinfectants; preparations for destroying vermin; fungicides, herbicides; pharmaceutical, veterinary and sanitary substances and preparations, namely, antifungals, antivirals, herbicides, antibiotics Downloadable computer software for analysis and interpretation of biological data using the combination of biology, computer science, information engineering, mathematics and statistics; Downloadable computer software for computer assisted molecule design; Downloadable computer software for chemical and biological research and analysis; Downloadable computer software for pharmaceutical research and development services; Downloadable computer software for diagnostic and screening services, namely, conducting diagnostic testing and evaluation of molecules developed through artificial intelligence means for scientific research purposes for use in the field of molecular research and to combat disease; downloadable computer software for use in the research and development of pharmaceutical products; downloadable computer software for cell analysis; downloadable computer software for the use in managing scientific projects; downloadable computer software for the design of chemical structures; downloadable computer software for the analysis of biological or chemical activity; downloadable artificial intelligence software for healthcare, pharmaceuticals and diagnostics Scientific and technological services, namely, scientific research, analysis, testing in the field of research and development of pharmaceutical products and molecule design and services relating thereto; industrial analysis and industrial research services in the field of research and development of pharmaceutical products, molecule design and robotics for lab automation and industrial design services; quality control and authentication services in the field of works of scientific research for others; design and development of computer hardware and software; Bioinformatic services, namely, analysis and interpretation of biological data using the combination of biology, computer science, information engineering, mathematics and statistics for others; computer assisted molecule design; identification of biological targets, networks and pathways; chemical and biological research and analysis; pharmaceutical research and development services; diagnostic and screening services, namely, conducting diagnostic testing and evaluation of molecules developed through artificial intelligence means for scientific research purposes to combat diseases Medical diagnostic testing and medical screening services
05 - Produits pharmaceutiques, vétérinaires et hygièniques
09 - Appareils et instruments scientifiques et électriques
42 - Services scientifiques, technologiques et industriels, recherche et conception
44 - Services médicaux, services vétérinaires, soins d'hygiène et de beauté; services d'agriculture, d'horticulture et de sylviculture.
Produits et services
Pharmaceutical preparations for the treatment of pain, viral diseases, namely, coronavirus, herpes, and hepatitis, cancer, lung cancer, pancreatic cancer, haematological cancer, colorectal cancer, breast cancer, bladder cancer, cervical cancer, gynecologic cancer, head and neck cancer, kidney cancer, liver cancer, myeloma, ovarian cancer, prostate cancer, skin cancer, thyroid cancer, uterine cancer, and neurological cancer, mental and physical disorders and conditions, namely, schizophrenia, mental health disorders, eating disorders and addictions, and nicotine addiction, skin conditions, namely, dermatitis, skin pigmentation diseases, psoriasis, and eczema, respiratory infections, eye infections, bacterial and parasitic infections, namely, malaria and tuberculosis, respiratory conditions, anxiety, arthritis, neurological diseases, namely, Huntington's disease, cerebral palsy, brain injury, spinal cord injury, and seizure disorders, immunologic diseases and disorders, namely Alzheimer's, Parkinson's disease, ulcerative colitis, multiples sclerosis, immuno-oncological diseases, atopic dermatitis, asthma, inflammatory bowel diseases (IBD), systemic lupus erythematosus (SLE), and chronic obstructive pulmonary diseases (COPD), musculoskeletal diseases, bone diseases, central nervous system (CNS) diseases, peripheral nervous system (PNS) diseases, and cardiovascular diseases and disorders; Medical preparations for the treatment of pain, viral diseases, namely, coronavirus, herpes, and hepatitis, cancer, lung cancer, pancreatic cancer, haematological cancer, colorectal cancer, breast cancer, bladder cancer, cervical cancer, gynecologic cancer, head and neck cancer, kidney cancer, liver cancer, myeloma, ovarian cancer, prostate cancer, skin cancer, thyroid cancer, uterine cancer, and neurological cancer, mental and physical disorders and conditions, namely, schizophrenia, mental health disorders, eating disorders and addictions, and nicotine addiction, skin conditions, namely, dermatitis, skin pigmentation diseases, psoriasis, and eczema, respiratory infections, eye infections, bacterial and parasitic infections, namely, malaria and tuberculosis, respiratory conditions, anxiety, arthritis, neurological diseases, namely, Huntington's disease, cerebral palsy, brain injury, spinal cord injury, and seizure disorders, immunologic diseases and disorders, namely Alzheimer's, Parkinson's disease, ulcerative colitis, multiples sclerosis, immuno-oncological diseases, atopic dermatitis, asthma, inflammatory bowel diseases (IBD), systemic lupus erythematosus (SLE), and chronic obstructive pulmonary diseases (COPD), musculoskeletal diseases, bone diseases, central nervous system (CNS) diseases, peripheral nervous system (PNS) diseases, and cardiovascular diseases and disorders; Veterinary preparations for the treatment of pain, viral diseases, namely, paramyxovirus, influenza A virus, coronavirus, herpes, and hepatitis, wounds, cancer, lung cancer, pancreatic cancer, haematological cancer, colorectal cancer, breast cancer, bladder cancer, cervical cancer, gynecologic cancer, head and neck cancer, kidney cancer, liver cancer, myeloma, ovarian cancer, prostate cancer, skin cancer, thyroid cancer, uterine cancer, and neurological cancer, mental and physical disorders and conditions, namely, mental health disorders, musculoskeletal diseases, bone diseases, central nervous system (CNS) diseases, cardiovascular diseases and disorders, skin conditions, namely, dermatitis, skin pigmentation diseases, psoriasis, and eczema, respiratory infections, eye infections, bacterial and parasitic infections, namely, malaria and tuberculosis, respiratory conditions, arthritis, inflammatory diseases, namely, inflammatory bowel diseases, and inflammatory connective tissue diseases, immunologic diseases and disorders, namely Alzheimer's, ulcerative colitis, immuno-oncological diseases, atopic dermatitis, asthma, inflammatory bowel diseases (IBD), systemic lupus erythematosus (SLE), and chronic obstructive pulmonary diseases (COPD), allergies, and anxiety; veterinary preparations, namely, vaccines for animals, and sanitary substances for medical use for the treatment of autoimmune diseases, autoimmune diseases, specifically psoriasis, arthritis, and Crohn's disease; sanitary preparations for medical purposes; dietetic food adapted for medical or veterinary use, food for babies; dietetic substances in the nature of dietetic food adapted for medical or veterinary use; Dietary supplements for human beings and animals; plasters for medical purposes; materials for dressings, namely, gauze, bandages; material for stopping teeth, dental wax; disinfectants; preparations for destroying vermin; fungicides, herbicides; pharmaceutical, veterinary and sanitary substances and preparations, namely, antifungals, antivirals, herbicides, antibiotics Downloadable computer software for analysis and interpretation of biological data using the combination of biology, computer science, information engineering, mathematics and statistics; Downloadable computer software for computer assisted molecule design; Downloadable computer software for chemical and biological research and analysis; Downloadable computer software for pharmaceutical research and development services; Downloadable computer software for diagnostic and screening services, namely, conducting diagnostic testing and evaluation of molecules developed through artificial intelligence means for scientific research purposes for use in the field of molecular research and to combat disease; downloadable computer software for use in the research and development of pharmaceutical products; downloadable computer software for cell analysis; downloadable computer software for the use in managing scientific projects; downloadable computer software for the design of chemical structures; downloadable computer software for the analysis of biological or chemical activity; downloadable artificial intelligence software for healthcare, pharmaceuticals and diagnostics Scientific and technological services, namely, scientific research, analysis, testing in the field of research and development of pharmaceutical products and molecule design and services relating thereto; industrial analysis and industrial research services in the field of research and development of pharmaceutical products, molecule design and robotics for lab automation and industrial design services; quality control and authentication services in the field of works of scientific research for others; design and development of computer hardware and software; Bioinformatic services, namely, analysis and interpretation of biological data using the combination of biology, computer science, information engineering, mathematics and statistics for others; computer assisted molecule design; identification of biological targets, networks and pathways; chemical and biological research and analysis; pharmaceutical research and development services; diagnostic and screening services, namely, conducting diagnostic testing and evaluation of molecules developed through artificial intelligence means for scientific research purposes to combat diseases Medical diagnostic testing and medical screening services
42 - Services scientifiques, technologiques et industriels, recherche et conception
Produits et services
Bioinformatics services; computer assisted molecule design;
identification of biological targets, networks and pathways;
biological research and analysis; pharmaceutical research
and development services; computer aided diagnostic and
screening services for scientific research purposes.
A method for computational drug design using an evolutionary algorithm, comprises evaluating virtual molecules according to vector distance (VD) to at least one achievement objective that defines a desired ideal molecule. In one method the invention comprises defining a set of n achievement objectives (OA1-n), where n is at least one; defining a population (PG=0) of at least one molecule; selecting an initial population (Pparent) of at least one molecule (I1-In) from the population (PG=0); and evaluating members (I1-In) of the initial population (Pparent) against at least one of the n achievement objectives (OA1-x), where x is from 1 to n.
42 - Services scientifiques, technologiques et industriels, recherche et conception
Produits et services
Bioinformatics services, namely, using bioinformatics to analyze and interpret biological data; computer assisted molecule design; identification of biological targets, networks and pathways; biological research and analysis; pharmaceutical research and development services; computer aided diagnostic and screening services for scientific research purposes
05 - Produits pharmaceutiques, vétérinaires et hygièniques
42 - Services scientifiques, technologiques et industriels, recherche et conception
Produits et services
Pharmaceutical, veterinary and sanitary substances and
preparations. Bioinformatic services (terms considered too vague by the
International Bureau - rule 13.2.b) of the Common
Regulations); computer assisted molecule design; chemical
and biological research and analysis; pharmaceutical
research and development services; diagnostic and screening
services (terms considered too vague by the International
Bureau - rule 13.2.b) of the Common Regulations).
42 - Services scientifiques, technologiques et industriels, recherche et conception
Produits et services
Bioinformatic services; computer assisted molecule design;
chemical and biological research and analysis;
pharmaceutical research and development services.
42 - Services scientifiques, technologiques et industriels, recherche et conception
Produits et services
Bioinformatics services, namely, using bioinformatics to analyze and interpret biological data; computer assisted molecule design; identification of biological targets, networks and pathways; biological research and analysis; pharmaceutical research and development services; computer aided diagnostic and screening services for scientific research purposes
G06F 19/00 - Équipement ou méthodes de traitement de données ou de calcul numérique, spécialement adaptés à des applications spécifiques (spécialement adaptés à des fonctions spécifiques G06F 17/00;systèmes ou méthodes de traitement de données spécialement adaptés à des fins administratives, commerciales, financières, de gestion, de surveillance ou de prévision G06Q;informatique médicale G16H)
G16C 20/50 - Conception moléculaire, p. ex. de médicaments
C40B 10/00 - Évolution moléculaire dirigée des macromolécules, p. ex. ARN, ADN ou protéines
G16C 20/70 - Apprentissage automatique, exploration de données ou chimiométrie
