SCHEMBL1415166

SCHEMBL1415166

CC1=C(C#N)C(c2ccc3[nH]nc(NS(=O)(=O)Cc4ccc(Cl)cc4)c3c2)C(C#N)=C(C)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.49
DRD5 P21918 1/20 0.47
HTR2C P28335 1/20 0.47
HTR6 P50406 1/20 0.47
RPS6KA3 P51812 1/20 0.46
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRA1 P14867 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S100A9 P06702 4/20 0.36
ABCC9 O60706 1/20 0.36
MCHR1 Q99705 1/20 0.36
CCNC P24863 1/20 0.35

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
SCHEMBL12386159 0.92 MET (0.44) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL1414865 0.91 MET (0.49) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL1414986 0.84 MET (0.66) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL1415086 0.84 MET (0.54) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL12386157 0.83 MET (0.49) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL2299870 0.83 MET (0.51) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL1415154 0.78 MET (0.51) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL2300557 0.78 MET (0.53) METDRD5HTR2CHTR6RPS6KA3
SCHEMBL2009550 0.77 MET (0.58) METDRD5HTR2CHTR6RPS6KA3
Hydrochloric Acid SCHEMBL4999892 0.77 MET (0.57) METDRD5HTR2CHTR6RPS6KA3

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 1/4885DRD5 1632/4885HTR2C 725/4885

“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.