SCHEMBL700158

SCHEMBL700158

Cc1nc2ccccn2c1-c1ccnc(Nc2cc(C(=O)Nc3ccccc3N)cs2)n1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.68
CDK2 P24941 9/20 0.58
CDK4 P11802 5/20 0.58
CCNE1 P24864 4/20 0.58

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
SCHEMBL700082 0.87 CDK2 (0.59) HDAC1CDK2CDK4CCNE1
SCHEMBL699145 0.86 HDAC1 (0.79) HDAC1CDK2CDK4CCNE1
SCHEMBL7964815 0.85 CDK2 (0.63) HDAC1CDK2CDK4CCNE1
SCHEMBL699906 0.85 HDAC1 (0.70) HDAC1CDK2CDK4CCNE1
SCHEMBL699854 0.85 HDAC1 (0.65) HDAC1CDK2CDK4CCNE1
SCHEMBL699261 0.85 HDAC1 (0.71) HDAC1CDK2CDK4CCNE1
SCHEMBL700855 0.85 HDAC1 (0.64) HDAC1CDK2CDK4CCNE1
SCHEMBL7964820 0.84 CDK2 (0.59) HDAC1CDK2CDK4CCNE1
SCHEMBL699927 0.84 HDAC1 (0.72) HDAC1CDK2CDK4CCNE1
SCHEMBL699812 0.81 HDAC1 (0.64) HDAC1CDK2CDK4CCNE1

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 HDAC1 1/4885CDK2 16/4885CDK4 15/4885

“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.