SCHEMBL700084

SCHEMBL700084

Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)NO)cn2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.45
BIRC2 Q13490 1/20 0.45
CDK2 P24941 6/20 0.44
CCNE1 P24864 4/20 0.44
CDK4 P11802 4/20 0.44
ROCK2 O75116 1/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
HDAC1 Q13547 2/20 0.40
SYK P43405 1/20 0.40
MAP4K1 Q92918 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KLF5 Q13887 1/20 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
SCHEMBL10252455 0.90 CDK2 (0.45) XIAPBIRC2CDK2CCNE1CDK4
SCHEMBL700972 0.90 HDAC6 (0.47) XIAPBIRC2CDK2CCNE1CDK4
SCHEMBL7975631 0.89 CDK2 (0.44) XIAPBIRC2CDK2CCNE1CDK4
SCHEMBL10255574 0.89 SYK (0.51) XIAPBIRC2MAPK13MAPK12MAPK11
SCHEMBL700609 0.89 CDK2 (0.47) XIAPBIRC2CDK2CCNE1CDK4
SCHEMBL699264 0.87 HDAC1 (0.57) XIAPBIRC2CDK2CCNE1CDK4
SCHEMBL701624 0.87 XIAP (0.49) XIAPBIRC2CDK2CCNE1CDK4
SCHEMBL701995 0.85 SYK (0.40) MAPK13MAPK12MAPK11MAPK14HDAC1
SCHEMBL700116 0.83 CDK2 (0.61) CDK2CCNE1CDK4HDAC1
SCHEMBL700160 0.82 SYK (0.46) XIAPBIRC2CDK2CCNE1CDK4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US claimed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 XIAP 1189/4885BIRC2 1162/4885CDK2 16/4885

“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.