SCHEMBL1398164

SCHEMBL1398164

COc1cc(C#N)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.48
ACLY P53396 2/20 0.41
ALPL P05186 1/20 0.40
TRPV4 Q9HBA0 2/20 0.40
STS P08842 1/20 0.39
CYP19A1 P11511 1/20 0.39
AKR1C3 P42330 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ESRRB O95718 1/20 0.39
ESR1 P03372 1/20 0.39
ESRRA P11474 1/20 0.39
ESRRG P62508 1/20 0.39
ESR2 Q92731 1/20 0.39
EPAS1 Q99814 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
SLC6A4 P31645 1/20 0.38
VEGFA P15692 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16179448 0.84 MRGPRX4 (0.42) ARTRPV4AKR1C3PDE4APDE4C
SCHEMBL21723413 0.82 SLC22A12 (0.41) ACLYTRPV4STSCYP19A1AKR1C3
SCHEMBL31245789 0.82 SLC22A12 (0.41) ACLYTRPV4STSCYP19A1AKR1C3
SCHEMBL5728291 0.82 EPAS1 (0.45) TRPV4STSCYP19A1AKR1C3PDE4A
SCHEMBL7337197 0.81 PDE4A (0.38) ARACLYALPLAKR1C3PDE4A
SCHEMBL14537815 0.81 CA12 (0.43) ARACLYALPLSTS
SCHEMBL1738137 0.81 TRPV4 (0.54) TRPV4AKR1C3PDE4APDE4CPDE4D
SCHEMBL3363775 0.81 AR (0.44) ARTRPV4STSCYP19A1PDE4A
SCHEMBL16962986 0.80 PTGDR2 (0.41) TRPV4AKR1C3PDE4APDE4CPDE4D
SCHEMBL16784589 0.79 AR (0.48) ARACLYALPLTRPV4STS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383900-A1 SUBSTITUTED PYRAZOLO [1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2024-11-21 US disclosed
EP-4355426-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2024-04-24 EP disclosed
US-RE49575-E1 Method for the preparation of (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-l,4-dihydro-1-6-naphthyridine-3-carbox-amide and the purification thereof for use as an active pharmaceutical ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-07-11 US disclosed
US-RE49575-E1 Method for the preparation of (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-l,4-dihydro-1-6-naphthyridine-3-carbox-amide and the purification thereof for use as an active pharmaceutical ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-07-11 US disclosed
WO-2022263604-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2022-12-22 WO disclosed
WO-2022263604-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2022-12-22 WO disclosed
US-10399977-B2 Process for preparing (4S)- 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide and purification thereof for use as a pharmaceutical active ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-09-03 US disclosed
US-10392384-B2 Method for the preparation of (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1-6-naphthyridine-3-carboxamide and recovery of (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1-6-naphthyridine-3-carboxamide by electrochemical methods BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-08-27 US disclosed
US-10336749-B2 Method for the preparation of (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1-6-naphthyridine-3-carboxamide and the purification thereof for use as an active pharmaceutical ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-02 US disclosed
US-20190127369-A1 Process for preparing (4S)- 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide and purification thereof for use as a pharmaceutical active ingredient Bayer Pharma AG (DE) 2019-05-02 US disclosed
WO-2007140894-A1 5-ARYL-SUBSTITUTED DIHYDROPYRIDOPYRIMIDINES AND DIHYDROPYRIDAZINES AND USE THEREOF AS MINERAL CORTICOID ANTAGONISTS BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed
WO-2007140894-A1 5-ARYL-SUBSTITUTED DIHYDROPYRIDOPYRIMIDINES AND DIHYDROPYRIDAZINES AND USE THEREOF AS MINERAL CORTICOID ANTAGONISTS BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed
WO-2007140934-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed
EP-1539749-A4 FUSED HETEROBICYCLO SUBSTITUTED PHENYL METABOTROPIC GLUTAMATE-5 MODULATORS MERCK & CO INC (US) 2007-06-13 EP disclosed
US-7105533-B2 Fused heterobicyclo substituted phenyl metabotropic glutamate-5 modulators MERCK & CO., INC. (US) 2006-09-12 US disclosed
US-20060106048-A1 Furoisoquinoline derivative and use thereof PASCALI, PETROS P. (CY) 2006-05-18 US disclosed
US-20050240021-A1 Fused heterobicyclo substituted phenyl metabotropic glutamate-5 modulators MERCK SHARP & DOHME CORP. 2005-10-27 US disclosed
EP-1541576-A1 FUROISOQUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP disclosed
EP-1539749-A2 FUSED HETEROBICYCLO SUBSTITUTED PHENYL METABOTROPIC GLUTAMATE-5 MODULATORS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004024074-A2 FUSED HETEROBICYCLO SUBSTITUTED PHENYL METABOTROPIC GLUTAMATE-5 MODULATORS MERCK & CO., INC. (US) 2004-03-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10399977-B2 Process for preparing (4S)- 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide and purification thereof for use as a pharmaceutical active ingredient CYP4B1, CYP2S1, CYP3A4 AR 4194/4885ACLY 2131/4885ALPL 2160/4885
US-10392384-B2 Method for the preparation of (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1-6-naphthyridine-3-carboxamide and recovery of (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1-6-naphthyridine-3-carboxamide by electrochemical methods MT-ND4, ENTPD1, COX4I1 AR 4506/4885ACLY 861/4885ALPL 1834/4885
US-20050240021-A1 Fused heterobicyclo substituted phenyl metabotropic glutamate-5 modulators GRM5, GRIK5, GRM1 AR 3131/4885ACLY 3180/4885ALPL 3934/4885
US-10336749-B2 Method for the preparation of (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1-6-naphthyridine-3-carboxamide and the purification thereof for use as an active pharmaceutical ingredient CYP4B1, CYP2D6, QDPR AR 3919/4885ACLY 833/4885ALPL 1659/4885
US-20240383900-A1 SUBSTITUTED PYRAZOLO [1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE CDK3, CDK1, CDK2 AR 653/4885ACLY 1997/4885ALPL 4290/4885
US-20190127369-A1 Process for preparing (4S)- 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide and purification thereof for use as a pharmaceutical active ingredient CYP4B1, CYP2S1, CYP3A4 AR 4194/4885ACLY 2131/4885ALPL 2160/4885
US-20060106048-A1 Furoisoquinoline derivative and use thereof PDE3B, PDE2A, PDE3A AR 229/4885ACLY 1588/4885ALPL 2201/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.