SCHEMBL182614

SCHEMBL182614

CC(=O)C(C#N)=Cc1ccc2[nH]nc(C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 7/20 0.51
PLK1 P53350 4/20 0.51
RPS6KA5 O75582 1/20 0.44
ERBB2 P04626 4/20 0.39
TEC P42680 1/20 0.39
TXK P42681 1/20 0.39
BLK P51451 1/20 0.39
BMX P51813 1/20 0.39
JAK3 P52333 1/20 0.39
ITK Q08881 1/20 0.39
ERBB4 Q15303 1/20 0.39
EGFR P00533 4/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
LCK P06239 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
SCHEMBL182613 1.00 NEK2 (0.51) NEK2PLK1RPS6KA5ERBB2TEC
SCHEMBL182322 0.86 NEK2 (0.50) NEK2PLK1RPS6KA5ERBB2TEC
SCHEMBL182323 0.86 NEK2 (0.50) NEK2PLK1RPS6KA5ERBB2TEC
SCHEMBL12595307 0.85 NEK2 (0.48) NEK2PLK1RPS6KA5ERBB2TEC
SCHEMBL182601 0.85 NEK2 (0.49) NEK2PLK1RPS6KA5ERBB2TEC
SCHEMBL182602 0.85 NEK2 (0.49) NEK2PLK1RPS6KA5ERBB2TEC
SCHEMBL11021837 0.84 NEK2 (0.56) NEK2PLK1RPS6KA5ERBB2TEC
SCHEMBL11021835 0.84 NEK2 (0.56) NEK2PLK1RPS6KA5ERBB2TEC
Nitrous Acid SCHEMBL11021890 0.78 NEK2 (0.35) NEK2PLK1RPS6KA5CYP1A2
Nitrous Acid SCHEMBL11021891 0.78 NEK2 (0.35) NEK2PLK1RPS6KA5CYP1A2

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 39 patents — showing the first 20. 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-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
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-9073939-B2 Indazolyl-substituted dihydroisoxa-zolopyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-07 US disclosed
US-9073939-B2 Indazolyl-substituted dihydroisoxa-zolopyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-07 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
US-8759341-B2 Bi- and tricyclic indazole-substituted 1,4-dihydropyridine derivatives and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-24 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-20110172221-A1 ANNELLATED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-14 US 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-2011067189-A2 CMET INHIBITORS FOR TREATING ENDOMETRIOSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-09 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-2011042367-A1 FLUORINATED 2,6-DIALKYL-3,5-DICYANO-4-(1H-INDAZOL-5-YL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AG (DE) 2011-04-14 WO disclosed
WO-2011042367-A1 FLUORINATED 2,6-DIALKYL-3,5-DICYANO-4-(1H-INDAZOL-5-YL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AG (DE) 2011-04-14 WO disclosed
WO-2011003604-A1 INDAZOLYL-SUBSTITUTED DIHYDROISOXA-ZOLOPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-13 WO disclosed
WO-2010094405-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-26 WO disclosed
WO-2010094405-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-26 WO disclosed
WO-2009149836-A1 ANNELLATED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINE DERIVATIVES 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-20110172221-A1 ANNELLATED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF MET, ERBB4, RET NEK2 827/4885PLK1 1039/4885RPS6KA5 654/4885

“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.