SCHEMBL1982875

SCHEMBL1982875

CCCCCC1=C(C#N)C(c2ccc3[nH]ncc3c2)C(C#N)=C(C)N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 9/20 0.63
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP2D6 P10635 3/20 0.36
▸ SLC6A2 P23975 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ SLC6A3 Q01959 3/20 0.36
▸ DRD5 P21918 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ ROCK2 O75116 3/20 0.34

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
SCHEMBL2011081 0.89 MET (0.67) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL1583361 0.84 MET (0.80) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL4997410 0.82 MET (0.58) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL2013113 0.81 MET (0.63) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL1583928 0.78 MET (1.00) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL2011745 0.76 MET (0.61) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL2009516 0.76 MET (0.67) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL4989460 0.75 MET (0.65) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL4996162 0.75 MET (0.66) METPOLBMAPK1SMN1; SMN2RPS6KA3
SCHEMBL9906873 0.74 MET (0.65) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499124-B1 FLUORO-SUBSTITUTED 2-ARYL-3,5-DICYANO-4-INDAZOLYL-6-METHYL-1,4-DIHYDROPYRIDINES AND USES THEREOF BAYER IP GMBH (DE) 2015-08-19 — — EP disclosed
US-9018234-B2 Fluoro-substituted 2-aryl-3,5-dicyano-4-indazolyl-6-methyl-1,4-dihydropyridines and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 — — US disclosed
US-9018234-B2 Fluoro-substituted 2-aryl-3,5-dicyano-4-indazolyl-6-methyl-1,4-dihydropyridines and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 — — US disclosed
CN-102666525-B Fluoro-substituted 2-aryl-3,5-dicyano-4-indazolyl-6-methyl-1,4-dihydropyridines and uses thereof BAYER IP GMBH 2015-01-28 — — CN disclosed
US-20130005773-A1 FLUORO-SUBSTITUTED 2-ARYL-3,5-DICYANO-4-INDAZOLYL-6-METHYL-1,4-DIHYDROPYRIDINES AND USES THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-03 — — US disclosed
US-20130005773-A1 FLUORO-SUBSTITUTED 2-ARYL-3,5-DICYANO-4-INDAZOLYL-6-METHYL-1,4-DIHYDROPYRIDINES AND USES THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-03 — — US disclosed
EP-2499124-A1 FLUORO-SUBSTITUTED 2-ARYL-3,5-DICYANO-4-INDAZOLYL-6-METHYL-1,4-DIHYDROPYRIDINES AND USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-09-19 — — EP disclosed
EP-2499124-A1 FLUORO-SUBSTITUTED 2-ARYL-3,5-DICYANO-4-INDAZOLYL-6-METHYL-1,4-DIHYDROPYRIDINES AND USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-09-19 — — EP disclosed
CN-102666525-A Fluoro-substituted 2-aryl-3,5-dicyano-4-indazolyl-6-methyl-1,4-dihydropyridines and uses thereof BAYER SCHERING PHARMA AG 2012-09-12 — — CN disclosed
WO-2011069761-A1 FLUORO-SUBSTITUTED 2-ARYL-3,5-DICYANO-4-INDAZOLYL-6-METHYL-1,4-DIHYDROPYRIDINES AND USES THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-16 — — WO disclosed
WO-2011069761-A1 FLUORO-SUBSTITUTED 2-ARYL-3,5-DICYANO-4-INDAZOLYL-6-METHYL-1,4-DIHYDROPYRIDINES AND USES THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-16 — — 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 (1 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-20130005773-A1 FLUORO-SUBSTITUTED 2-ARYL-3,5-DICYANO-4-INDAZOLYL-6-METHYL-1,4-DIHYDROPYRIDINES AND USES THEREOF MET, RET, ABL1 MET 1/4885POLB 4455/4885MAPK1 631/4885

“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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