SCHEMBL924157

SCHEMBL924157

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.53
ADORA2B P29275 6/20 0.50
HTR1B P28222 1/20 0.50
OPRK1 P41145 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
KDM4E B2RXH2 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL924156 1.00 ADORA1 (0.53) ADORA1ADORA2BHTR1BOPRK1FFAR4
SCHEMBL12907861 0.90 ADORA1 (0.43) ADORA1ADORA2BHTR1BOPRK1FFAR4
SCHEMBL923574 0.88 ADORA1 (0.52) ADORA1ADORA2BHTR1BOPRK1FFAR4
SCHEMBL923573 0.88 ADORA1 (0.52) ADORA1ADORA2BHTR1BOPRK1FFAR4
SCHEMBL923146 0.83 ADORA1 (0.54) ADORA1ADORA2BHTR1BOPRK1FFAR4
SCHEMBL923148 0.83 ADORA1 (0.54) ADORA1ADORA2BHTR1BOPRK1FFAR4
SCHEMBL923752 0.82 ADORA1 (0.70) ADORA1ADORA2BHTR1BOPRK1FFAR4
SCHEMBL923751 0.82 ADORA1 (0.70) ADORA1ADORA2BHTR1BOPRK1FFAR4
SCHEMBL924057 0.81 ADORA2B (0.41) ADORA1ADORA2BHTR1BOPRK1FFAR4
SCHEMBL924056 0.81 ADORA2B (0.41) ADORA1ADORA2BHTR1BOPRK1FFAR4

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 2977/4885HTR1B 2869/4885

“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.