SCHEMBL923928

SCHEMBL923928

N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OC2CCOC2)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 20/20 0.63
SLC6A3 Q01959 1/20 0.57

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
SCHEMBL12943265 0.94 ADORA1 (0.62) ADORA1SLC6A3
SCHEMBL12907888 0.93 ADORA1 (0.54) ADORA1SLC6A3
SCHEMBL923720 0.91 ADORA1 (0.65) ADORA1SLC6A3
SCHEMBL923377 0.88 ADORA1 (0.71) ADORA1SLC6A3
SCHEMBL12907883 0.84 ADORA1 (0.55) ADORA1SLC6A3
SCHEMBL12907866 0.81 ADORA1 (0.60) ADORA1SLC6A3
SCHEMBL12943220 0.79 ADORA1 (0.51) ADORA1SLC6A3
SCHEMBL8007677 0.79 ADORA1 (0.62) ADORA1
SCHEMBL924848 0.77 MAPK8 (0.39) ADORA1
SCHEMBL3571933 0.77 ADORA1 (0.65) ADORA1SLC6A3

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 2 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
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 3492/4885SLC6A3 2324/4885

“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.