SCHEMBL182744

SCHEMBL182744

CC(=O)/C(C#N)=C/c1cc2cn[nH]c2cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 3/20 0.47
ALDH1A1 P00352 6/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TNNI3 P19429 1/20 0.40
CRHBP P24387 1/20 0.40
TNNT2 P45379 1/20 0.40
KLK7 P49862 1/20 0.40
TNNC1 P63316 1/20 0.40
CRHR2 Q13324 1/20 0.40
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
MET P08581 1/20 0.36
GPR55 Q9Y2T6 2/20 0.36
MEN1 O00255 2/20 0.36
ERBB2 P04626 1/20 0.34
TEC P42680 1/20 0.34
TXK P42681 1/20 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
SCHEMBL182745 1.00 NEK2 (0.47) NEK2ALDH1A1MAPTKMT2ALMNA
Nitrous Acid SCHEMBL13276537 0.79 ROCK2 (0.37) NEK2ROCK2ROCK1METFGFR1
Nitrous Acid SCHEMBL13276538 0.79 ROCK2 (0.37) NEK2ROCK2ROCK1METFGFR1
SCHEMBL10212416 0.78 ROCK2 (0.39) NEK2ROCK2ROCK1FGFR1FGFR2
SCHEMBL560975 0.77 NEK2 (0.77) NEK2ALDH1A1MAPTKMT2AKDM4E
SCHEMBL560974 0.77 NEK2 (0.77) NEK2ALDH1A1MAPTKMT2AKDM4E
SCHEMBL561253 0.77 ALDH1A1 (0.37) NEK2ALDH1A1MAPTKMT2ALMNA
SCHEMBL561254 0.77 ALDH1A1 (0.37) NEK2ALDH1A1MAPTKMT2ALMNA
SCHEMBL29956581 0.72 CHEK1 (0.44) ALDH1A1MAPTKMT2AKDM4EROCK2
SCHEMBL182453 0.72 CHEK1 (0.44) ALDH1A1MAPTKMT2AKDM4EROCK2

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 26 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-9073939-B2 Indazolyl-substituted dihydroisoxa-zolopyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-07 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
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-8642595-B2 Annellated 4-(indazolyl)-1,4-dihydropyridine derivatives and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-8642595-B2 Annellated 4-(indazolyl)-1,4-dihydropyridine derivatives and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
EP-2451817-B1 INDAZOLYL-SUBSTITUTED DIHYDROISOXA-ZOLOPYRIDINES AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2013-09-04 EP disclosed
EP-2451817-B1 INDAZOLYL-SUBSTITUTED DIHYDROISOXA-ZOLOPYRIDINES AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2013-09-04 EP disclosed
US-20120035409-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-09 US disclosed
US-20120035409-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-09 US disclosed
EP-2300482-B1 ANNELLATED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINE DERIVATIVES AS c-Met MEDIATORS Bayer Pharma AG (DE) 2012-01-04 EP disclosed
EP-2300482-B1 ANNELLATED 4-(INDAZOLYL)-1,4-DIHYDROPYRIDINE DERIVATIVES AS c-Met MEDIATORS Bayer Pharma AG (DE) 2012-01-04 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
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-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-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-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 (2 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 827/4885ALDH1A1 323/4885MAPT 2895/4885
US-20120035409-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF MET, RET, ERBB2 NEK2 1049/4885ALDH1A1 916/4885MAPT 1788/4885

“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.