SCHEMBL6465015

SCHEMBL6465015

COc1nc(NC(C)=O)c(C#N)c(-c2ccc(Cl)c(Cl)c2)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.47
MAPK9 P45984 2/20 0.47
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
ABL1 P00519 2/20 0.42
CLK4 Q9HAZ1 3/20 0.41
GSK3B P49841 2/20 0.41
DYRK1A Q13627 2/20 0.41
GSK3A P49840 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL6462293 0.78 ADORA1 (0.65) ADORA2AADORA1CLK4GSK3BDYRK1A
SCHEMBL7022182 0.76 MAPK8 (0.47) MAPK8MAPK9ADORA1CLK4GAA
SCHEMBL7019672 0.74 MAPK8 (0.48) MAPK8MAPK9ADORA2AADORA1GAA
SCHEMBL7015455 0.74 ALDH1A1 (0.46) MAPK8MAPK9ADORA2AADORA1CLK4
SCHEMBL6468541 0.69 MAPK14 (0.53) ADORA2AADORA1CLK4GSK3BDYRK1A
SCHEMBL4755334 0.68 MAPK14 (0.48) ADORA2AADORA1GAAMAPTKDM4E
SCHEMBL13514256 0.68 KMT2A (0.53) MAPK8MAPK9GAAMAPTKDM4E
SCHEMBL7020462 0.67 SQOR (0.48) ADORA2AADORA1GAAMAPTKDM4E
SCHEMBL7014230 0.67 ALDH1A1 (0.61) MAPK8MAPK9ADORA2AADORA1CLK4
SCHEMBL7020305 0.66 ALDH1A1 (0.60) MAPK8MAPK9ADORA2AADORA1CLK4

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 MAPK8 2977/4885MAPK9 3689/4885ADORA2A 754/4885

“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.