SCHEMBL923485

SCHEMBL923485

N#Cc1c(N)nc(SCc2coc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OC2COCC2O)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 18/20 0.53
SLC6A3 Q01959 1/20 0.53
ADORA2B P29275 3/20 0.45
ELAVL1 Q15717 1/20 0.45
HTR1B P28222 1/20 0.44
OPRK1 P41145 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL923486 1.00 ADORA1 (0.53) ADORA1SLC6A3ADORA2BELAVL1HTR1B
SCHEMBL12907863 0.92 ADORA1 (0.45) ADORA1SLC6A3ADORA2BELAVL1HTR1B
SCHEMBL924571 0.86 ADORA1 (0.72) ADORA1SLC6A3
SCHEMBL924572 0.86 ADORA1 (0.72) ADORA1SLC6A3
SCHEMBL923420 0.85 ADORA1 (0.49) ADORA1SLC6A3ADORA2BELAVL1HTR1B
SCHEMBL923422 0.85 ADORA1 (0.49) ADORA1SLC6A3ADORA2BELAVL1HTR1B
SCHEMBL1177071 0.84 ADORA1 (0.70) ADORA1SLC6A3ADORA2BELAVL1
SCHEMBL923146 0.83 ADORA1 (0.54) ADORA1SLC6A3ADORA2BHTR1BOPRK1
SCHEMBL923148 0.83 ADORA1 (0.54) ADORA1SLC6A3ADORA2BHTR1BOPRK1
SCHEMBL13285072 0.82 ADORA1 (0.67) ADORA1SLC6A3ADORA2BELAVL1

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 1 patent. 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

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 2324/4885ADORA2B 2977/4885

“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.