SCHEMBL1415098

SCHEMBL1415098

CCCOc1n[nH]c2ccc(C3C(C#N)=C(C)NC(C)=C3C#N)cc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.55
RPS6KA3 P51812 1/20 0.55
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DRD5 P21918 1/20 0.43
HTR2C P28335 1/20 0.43
HTR6 P50406 1/20 0.43
MPO P05164 1/20 0.40
GABRA1 P14867 1/20 0.38
TMEM97 Q5BJF2 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
SCHEMBL1415006 0.92 MET (0.58) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL12386174 0.90 MET (0.51) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL1415055 0.88 MET (0.66) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL29931188 0.88 MET (0.66) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL1414940 0.86 MET (0.54) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL1414973 0.86 MET (0.54) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL1414931 0.85 MET (0.60) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL1414798 0.85 MET (0.47) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL1415025 0.84 MET (0.68) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL1415004 0.84 MET (0.52) METRPS6KA3KDM4EALDH1A1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551989-B2 Substituted 4-(indazolyl)-1,4-dihydropyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-08 US disclosed
US-8551989-B2 Substituted 4-(indazolyl)-1,4-dihydropyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-08 US disclosed
EP-2294062-B1 SUBSTITUTED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2013-08-21 EP disclosed
EP-2294062-B1 SUBSTITUTED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2013-08-21 EP disclosed
US-20110207731-A1 SUBSTITUTED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-25 US disclosed
US-20110207731-A1 SUBSTITUTED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-25 US disclosed
EP-2294062-A1 SUBSTITUTED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-03-16 EP disclosed
WO-2009149837-A1 SUBSTITUTED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-17 WO disclosed
WO-2009149837-A1 SUBSTITUTED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-17 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-20110207731-A1 SUBSTITUTED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF MET, ERBB4, RET MET 1/4885RPS6KA3 752/4885KDM4E 715/4885

“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.