SCHEMBL169815

SCHEMBL169815

N#Cc1cncc(C#N)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
KDR P35968 2/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
CHUK O15111 1/20 0.47
ROCK2 O75116 1/20 0.47
CHEK2 O96017 1/20 0.47
INSR P06213 1/20 0.47
CDK1 P06493 1/20 0.47
CSF1R P07333 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
MARK3 P27448 1/20 0.47

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
SCHEMBL7219741 0.88 CYP11B1 (0.44) CYP11B1CYP11B2KDRPLK4CHEK1
SCHEMBL18411452 0.79 TSHR (0.46) KDRPLK4CHEK1AURKACHUK
SCHEMBL3076233 0.79 CDK5 (0.43) CYP11B1CYP11B2KDRPLK4CHEK1
SCHEMBL3089783 0.78 ADORA2A (0.47) CYP11B1CYP11B2PIM1ALDH1A1ADORA2A
SCHEMBL27875095 0.75 ALDH1A1 (0.40) KDRPLK4CHEK1AURKACHUK
SCHEMBL5329333 0.75 ADORA2A (0.46) CYP11B1CYP11B2ALDH1A1NPSR1TDP1
SCHEMBL28185544 0.75 CYP11B1 (0.54) CYP11B1CYP11B2ALDH1A1NPSR1TDP1
SCHEMBL18411450 0.74 TSHR (0.48) ALDH1A1NPSR1TDP1KDM4EHTT
SCHEMBL1146097 0.74 CYP1A2 (0.57) CYP11B1CYP11B2ALDH1A1NPSR1TDP1
SCHEMBL27738558 0.74 ADORA1 (0.53) KDRPLK4CHEK1AURKACHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017137528-A1 ADENOSINE A1 RECEPTOR AGONIST FOR USE IN TREATMENT OF STATUS EPILEPTICUS CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2017-08-17 WO claimed
EP-3515887-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2021-07-07 EP disclosed
CN-107417607-B A kind of three components one pot reaction prepares the system and method for 6- sulfydryl polysubstituted pyridine derivative 马鞍山市泰博化工科技有限公司 2019-09-17 CN disclosed
CN-107417607-A A kind of three components one pot reaction prepares the system and method for 6 sulfydryl polysubstituted pyridine derivatives 马鞍山市泰博化工科技有限公司 2017-12-01 CN disclosed
WO-2017137528-A1 ADENOSINE A1 RECEPTOR AGONIST FOR USE IN TREATMENT OF STATUS EPILEPTICUS CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2017-08-17 WO disclosed
EP-2611415-B1 ADENOSINE A1 AGONISTS FOR THE TREATMENT OF GLAUCOMA AND OCULAR HYPERTENSION BAYER IP GMBH (DE) 2016-02-24 EP disclosed
US-20150306084-A1 ADENOSINE A1 AGONISTS FOR THE TREATMENT OF GLAUCOMA AND OCULAR HYPERTENSION BAYER IP GMBH (DE) 2015-10-29 US disclosed
US-9040566-B2 Adenosine A1 agonists for the treatment of glaucoma and ocular hypertension BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-26 US disclosed
US-20130210797-A1 ADENOSINE A1 AGONISTS FOR THE TREATMENT OF GLAUCOMA AND OCULAR HYPERTENSION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
EP-2611415-A1 ADENOSINE A1 AGONISTS FOR THE TREATMENT OF GLAUCOMA AND OCULAR HYPERTENSION Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
WO-2012028585-A1 ADENOSINE A1 AGONISTS FOR THE TREATMENT OF GLAUCOMA AND OCULAR HYPERTENSION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 WO disclosed
US-20120058983-A1 Adenosine A1 agonists for the treatment of glaucoma and ocular hypertension BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 US disclosed
US-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
EP-2242741-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-27 EP disclosed
EP-2242741-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-27 EP disclosed
WO-2009100827-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-20 WO disclosed
WO-2009100827-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-20 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 (4 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-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE PC, DPP4, FABP3 CYP11B1 256/4885CYP11B2 187/4885KDR 1240/4885
US-20130210797-A1 ADENOSINE A1 AGONISTS FOR THE TREATMENT OF GLAUCOMA AND OCULAR HYPERTENSION ADORA1, ADORA3, ADORA2A CYP11B1 225/4885CYP11B2 496/4885KDR 655/4885
US-20120058983-A1 Adenosine A1 agonists for the treatment of glaucoma and ocular hypertension ADORA1, ADORA3, ADORA2A CYP11B1 225/4885CYP11B2 496/4885KDR 655/4885
US-20150306084-A1 ADENOSINE A1 AGONISTS FOR THE TREATMENT OF GLAUCOMA AND OCULAR HYPERTENSION ADORA1, ADORA3, ADORA2A CYP11B1 225/4885CYP11B2 496/4885KDR 655/4885

“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.