SCHEMBL8008772

SCHEMBL8008772

N#Cc1c(N)nc(SCc2ccccn2)c(C#N)c1-c1ccc(O[C@H]2CCC[C@@H]2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.55
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ADORA2A P29274 3/20 0.53
ADORA3 P0DMS8 2/20 0.53
ADORA2B P29275 8/20 0.52
HTR1B P28222 1/20 0.51
OPRK1 P41145 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL12943304 0.98 ADORA1 (0.55) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL12907835 0.91 ALDH1A1 (0.46) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL12907846 0.89 ALDH1A1 (0.46) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL923146 0.88 ADORA1 (0.54) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL923148 0.88 ADORA1 (0.54) ADORA1ALDH1A1PKMSMN1; SMN2ADORA2A
SCHEMBL12943380 0.86 ADORA1 (0.53) ADORA1ADORA2AADORA3ADORA2BHTR1B
SCHEMBL12943219 0.86 ADORA1 (0.50) ADORA1ADORA2AADORA3ADORA2BHTR1B
SCHEMBL12943221 0.85 ADORA1 (0.73) ADORA1ADORA2BHTR1BOPRK1FFAR4
SCHEMBL923841 0.84 ADORA1 (0.73) ADORA1ADORA2AADORA3ADORA2BHTR1B
SCHEMBL923839 0.84 ADORA1 (0.73) ADORA1ADORA2AADORA3ADORA2BHTR1B

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 3492/4885ALDH1A1 1899/4885PKM 34/4885

“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.