SCHEMBL699264

SCHEMBL699264

Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.57
CCNE1 P24864 3/20 0.44
CDK2 P24941 3/20 0.44
CDK4 P11802 2/20 0.44
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
XIAP P98170 1/20 0.43
BIRC2 Q13490 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL700463 0.90 HDAC1 (0.60) HDAC1CCNE1CDK2CDK4HDAC3
SCHEMBL700084 0.87 XIAP (0.45) HDAC1CCNE1CDK2CDK4MAPK13
SCHEMBL699927 0.85 HDAC1 (0.72) HDAC1CCNE1CDK2CDK4
SCHEMBL10252455 0.85 CDK2 (0.45) CCNE1CDK2CDK4XIAPBIRC2
SCHEMBL7975631 0.83 CDK2 (0.44) CCNE1CDK2CDK4XIAPBIRC2
SCHEMBL10252152 0.78 TGFBR1 (0.41) CCNE1CDK2CDK4XIAPBIRC2
SCHEMBL700972 0.77 HDAC6 (0.47) HDAC1CCNE1CDK2CDK4XIAP
SCHEMBL7975623 0.77 CDK2 (0.43) CCNE1CDK2CDK4XIAPBIRC2
SCHEMBL701624 0.76 XIAP (0.49) CCNE1CDK2CDK4XIAPBIRC2
SCHEMBL10255574 0.76 SYK (0.51) HDAC1MAPK13MAPK12MAPK11MAPK14

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 9 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-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
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 HDAC1 1/4885CCNE1 75/4885CDK2 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.