SCHEMBL700972

SCHEMBL700972

Cc1nc2ccccn2c1-c1ccnc(Nc2ncc(C(=O)NO)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.47
HDAC1 Q13547 6/20 0.47
HDAC3 O15379 5/20 0.47
HDAC2 Q92769 5/20 0.47
CDK2 P24941 8/20 0.47
CCNE1 P24864 4/20 0.47
CDK4 P11802 4/20 0.47
XIAP P98170 1/20 0.45
BIRC2 Q13490 1/20 0.45
ROCK2 O75116 1/20 0.41

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
SCHEMBL700084 0.90 XIAP (0.45) HDAC6HDAC1CDK2CCNE1CDK4
SCHEMBL7978465 0.89 CDK2 (0.47) HDAC1CDK2CCNE1CDK4XIAP
SCHEMBL700609 0.87 CDK2 (0.47) HDAC6HDAC1HDAC3HDAC2CDK2
SCHEMBL701624 0.84 XIAP (0.49) CDK2CCNE1CDK4XIAPBIRC2
SCHEMBL700160 0.83 SYK (0.46) CDK2CCNE1CDK4XIAPBIRC2
SCHEMBL10252455 0.82 CDK2 (0.45) CDK2CCNE1CDK4XIAPBIRC2
SCHEMBL700998 0.80 XIAP (0.44) CDK2CCNE1CDK4XIAPBIRC2
SCHEMBL7975631 0.80 CDK2 (0.44) CDK2CCNE1CDK4XIAPBIRC2
SCHEMBL7978508 0.79 CDK2 (0.51) CDK2CCNE1CDK4XIAPBIRC2
SCHEMBL700116 0.78 CDK2 (0.61) HDAC1CDK2CCNE1CDK4

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 HDAC6 25/4885HDAC1 1/4885HDAC3 17/4885

“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.