SCHEMBL1583574

SCHEMBL1583574

Cc1n[nH]c2ccc(C3C(C#N)=C(C(F)F)NC(C(F)(F)F)=C3C#N)cc12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.56
RPS6KA3 P51812 1/20 0.42
DRD5 P21918 1/20 0.36
HTR2C P28335 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL1583435 0.91 MET (0.62) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL1583722 0.90 MET (0.64) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL1583727 0.88 MET (0.71) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL1583408 0.87 MET (0.72) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL1583335 0.87 MET (0.72) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL1583682 0.87 MET (0.72) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL12808129 0.84 MET (0.55) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL12808127 0.84 MET (0.51) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL12807922 0.83 MET (0.56) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL1983683 0.83 MET (0.61) METRPS6KA3DRD5HTR2CHTR6

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-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
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
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
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
EP-2485726-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) 2012-08-15 EP 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

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-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 1/4885RPS6KA3 546/4885DRD5 537/4885

“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.