SCHEMBL923745

SCHEMBL923745

N#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1-c1ccc(OC2CCOC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ADORA1 P30542 12/20 0.45
ADORA2A P29274 3/20 0.44
ADORA2B P29275 6/20 0.43
KDM4E B2RXH2 2/20 0.43
HTR1B P28222 1/20 0.43
OPRK1 P41145 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MEN1 O00255 2/20 0.41
ALOX15 P16050 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL12907829 0.89 MAPT (0.42) MAPTNPSR1RXFP1ADORA1ADORA2A
SCHEMBL26010740 0.82 ADORA2B (0.53) MAPTADORA1ADORA2AADORA2BKDM4E
SCHEMBL26010736 0.82 ADORA2B (0.51) NPSR1ADORA1ADORA2AADORA2BKDM4E
SCHEMBL923971 0.82 ADORA2A (0.42) MAPTNPSR1RXFP1ADORA1ADORA2A
SCHEMBL26010747 0.81 ADORA1 (0.55) NPSR1ADORA1ADORA2AADORA2BKDM4E
SCHEMBL26009452 0.80 ADORA2B (0.45) MAPTNPSR1RXFP1ADORA1ADORA2A
SCHEMBL26013249 0.79 ADORA1 (0.71) ADORA1ADORA2AADORA2BHTR1BOPRK1
SCHEMBL26011053 0.79 ADORA1 (0.71) ADORA1ADORA2AADORA2BHTR1BOPRK1
SCHEMBL26012762 0.79 ADORA2B (0.51) NPSR1ADORA1ADORA2AADORA2BKDM4E
SCHEMBL26012765 0.79 ADORA2B (0.51) NPSR1ADORA1ADORA2AADORA2BKDM4E

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 4 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
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 MAPT 3604/4885NPSR1 3628/4885RXFP1 4325/4885

“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.