SCHEMBL6462280

SCHEMBL6462280

N#Cc1ccc(-c2c(C#N)c(N)nc(OCCO)c2C#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 15/20 0.63
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 3/20 0.50
KDM4E B2RXH2 3/20 0.50
RXFP1 Q9HBX9 2/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 1/20 0.48
SLC6A3 Q01959 1/20 0.46
PRF1 P14222 1/20 0.46
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL7016201 0.88 ADORA1 (0.68) ADORA1ALDH1A1HSD17B10KDM4ERXFP1
SCHEMBL1421425 0.85 ADORA1 (0.56) ADORA1ALDH1A1HSD17B10KDM4ERXFP1
SCHEMBL1421834 0.84 KDM4E (0.62) ADORA1ALDH1A1HSD17B10KDM4ERXFP1
SCHEMBL6466193 0.84 ADORA1 (0.60) ADORA1ALDH1A1HSD17B10KDM4ERXFP1
SCHEMBL7014126 0.82 ADORA1 (0.65) ADORA1ALDH1A1HSD17B10MAPK1
SCHEMBL26632985 0.80 ADORA1 (0.61) ADORA1ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL12553020 0.79 ADORA1 (0.56) ADORA1ALDH1A1HSD17B10KDM4ERXFP1
SCHEMBL3549098 0.79 ADORA1 (0.72) ADORA1ALDH1A1HSD17B10KDM4EMEN1
SCHEMBL30511861 0.78 PRF1 (0.58) ADORA1ALDH1A1HSD17B10KDM4ERXFP1
SCHEMBL245940 0.78 PRF1 (0.58) ADORA1ALDH1A1HSD17B10KDM4ERXFP1

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-20050182105-A1 Method of using 3-cyano-4-arylpyridine derivatives as modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2005-08-18 US claimed
US-20050182105-A1 Method of using 3-cyano-4-arylpyridine derivatives as modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2005-08-18 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-20050182105-A1 Method of using 3-cyano-4-arylpyridine derivatives as modulators of androgen receptor function NR3C2, NR4A3, NR3C1 ADORA1 1035/4885ALDH1A1 2565/4885HSD17B10 167/4885

“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.