SCHEMBL1583361

SCHEMBL1583361

CC1=C(C#N)C(c2ccc3[nH]ncc3c2)C(C#N)=C(C)N1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 9/20 0.80
▸ POLB P06746 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ RPS6KA3 P51812 1/20 0.55
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ DRD5 P21918 1/20 0.42

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
SCHEMBL1583928 0.89 MET (1.00) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL4989460 0.89 MET (0.65) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL9906873 0.88 MET (0.65) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL2009516 0.87 MET (0.67) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL2011081 0.87 MET (0.67) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL4996162 0.86 MET (0.66) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL1982875 0.84 MET (0.63) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL4989667 0.84 MET (0.63) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL4996912 0.84 MET (0.62) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL2011898 0.84 MET (0.62) METPOLBMAPK1SMN1; SMN2RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121608-B1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER IP GMBH (DE) 2012-11-14 — — EP claimed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 — — US claimed
US-9422263-B2 Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-23 — — US disclosed
US-9422263-B2 Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-23 — — US disclosed
US-9422263-B2 Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-23 — — US disclosed
CN-102573838-B Fluoro-substituted 3,5-dicyano-4-(1h-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER SCHERING PHARMA AG 2014-09-24 — — CN disclosed
CN-102573838-B Fluoro-substituted 3,5-dicyano-4-(1h-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER SCHERING PHARMA AG 2014-09-24 — — CN disclosed
EP-2485726-B1 FLUORO-SUBSTITUTED 3,5-DICYANO-4-(1H-INDAZOL-5-YL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2014-03-12 — — EP disclosed
EP-2485726-B1 FLUORO-SUBSTITUTED 3,5-DICYANO-4-(1H-INDAZOL-5-YL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2014-03-12 — — EP disclosed
EP-2121608-B1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER IP GMBH (DE) 2012-11-14 — — EP disclosed
US-20120264785-A1 Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
CN-102573838-A Fluoro-substituted 3,5-dicyano-4-(1h-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER SCHERING PHARMA AG 2012-07-11 — — CN disclosed
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 — — US disclosed
US-8198456-B2 e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-06-12 — — US disclosed
WO-2011042368-A1 FLUORO-SUBSTITUTED 3,5-DICYANO-4-(1H-INDAZOL-5-YL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-14 — — WO disclosed
WO-2011042368-A1 FLUORO-SUBSTITUTED 3,5-DICYANO-4-(1H-INDAZOL-5-YL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-14 — — WO disclosed
WO-2011042368-A1 FLUORO-SUBSTITUTED 3,5-DICYANO-4-(1H-INDAZOL-5-YL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-14 — — WO disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 — — US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 — — US disclosed
WO-2008071451-A1 DIHYDROPYRIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 — — 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 (2 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-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET MET 1/4885POLB 3783/4885MAPK1 168/4885
US-20120264785-A1 Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof MET, DCK, RET MET 1/4885POLB 4609/4885MAPK1 945/4885

“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.

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