SCHEMBL923971

SCHEMBL923971

N#Cc1c(N)nc(S)c(C#N)c1-c1ccc(OC2CCOC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
ADORA2B P29275 7/20 0.40
HTR1B P28222 1/20 0.40
OPRK1 P41145 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ADORA1 P30542 9/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
RXFP1 Q9HBX9 3/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA3 P0DMS8 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
SCHEMBL25360809 0.91 KDM4E (0.42) ADORA2AADORA2BHTR1BOPRK1FFAR4
SCHEMBL12907805 0.88 MAPK8 (0.38) ADORA2AMAPK8MAPK9ADORA2BHTR1B
SCHEMBL924848 0.83 MAPK8 (0.39) ADORA2AMAPK8MAPK9ADORA1KDM4E
SCHEMBL925562 0.83 HSD17B10 (0.48) ADORA2AMAPK8MAPK9ADORA1KDM4E
SCHEMBL923745 0.82 MAPT (0.52) ADORA2AADORA2BHTR1BOPRK1FFAR4
SCHEMBL31378332 0.82 KDM4E (0.43) ADORA2AADORA2BHTR1BOPRK1FFAR4
SCHEMBL31378286 0.82 KDM4E (0.43) ADORA2AADORA2BHTR1BOPRK1FFAR4
SCHEMBL25361368 0.82 KDM4E (0.43) ADORA2AADORA2BHTR1BOPRK1FFAR4
SCHEMBL26010740 0.81 ADORA2B (0.53) ADORA2AADORA2BHTR1BOPRK1FFAR4
SCHEMBL26010736 0.81 ADORA2B (0.51) ADORA2AADORA2BHTR1BOPRK1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE PC, DPP4, FABP3 ADORA2A 3116/4885MAPK8 1278/4885MAPK9 2001/4885

“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.