SCHEMBL923545

SCHEMBL923545

N#Cc1c(NC[C@H](O)CO)nc(SCc2cccc(C(N)=O)c2)c(C#N)c1-c1ccc(OC2CCOC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 20/20 0.71
ADORA2B P29275 3/20 0.54
ADORA2A P29274 4/20 0.43
ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL12907882 0.93 ADORA1 (0.61) ADORA1ADORA2BADORA2AADORA3
SCHEMBL12943384 0.86 ADORA1 (0.73) ADORA1ADORA2BADORA2AADORA3
SCHEMBL923620 0.85 ADORA1 (0.63) ADORA1ADORA2BADORA2AADORA3
SCHEMBL245880 0.84 ADORA1 (1.00) ADORA1ADORA2BADORA2AADORA3
SCHEMBL12907820 0.81 ADORA1 (0.56) ADORA1ADORA2BADORA2AADORA3
SCHEMBL12907867 0.81 ADORA1 (0.61) ADORA1ADORA2BADORA2AADORA3
SCHEMBL924560 0.80 ADORA1 (0.64) ADORA1ADORA2BADORA2AADORA3
SCHEMBL245589 0.78 ADORA1 (0.87) ADORA1ADORA2BADORA2AADORA3
SCHEMBL8007677 0.76 ADORA1 (0.62) ADORA1ADORA2BADORA2AADORA3
SCHEMBL12907886 0.76 ADORA1 (0.57) ADORA1ADORA2BADORA2AADORA3

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 3 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
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 ADORA1 3492/4885ADORA2B 2977/4885ADORA2A 3116/4885

“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.