SCHEMBL702866

SCHEMBL702866

COc1ccn2c(-c3ccnc(Nc4ccc(C(=O)Nc5ccccc5N)s4)n3)c(C)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.52
CDK2 P24941 8/20 0.45
CCNE1 P24864 4/20 0.45
CDK4 P11802 4/20 0.45
IGF1R P08069 3/20 0.43

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
SCHEMBL700356 0.90 IGF1R (0.44) HDAC1CDK2CCNE1CDK4IGF1R
SCHEMBL699854 0.88 HDAC1 (0.65) HDAC1CDK2CCNE1CDK4
SCHEMBL700312 0.87 HDAC1 (0.51) HDAC1CDK2CCNE1CDK4IGF1R
SCHEMBL699362 0.87 CDK2 (0.43) CDK2CCNE1CDK4IGF1R
SCHEMBL12791083 0.86 CACNA1B (0.41) HDAC1CDK2
SCHEMBL700171 0.85 HDAC1 (0.62) HDAC1CDK2CCNE1CDK4IGF1R
SCHEMBL13949018 0.84 HDAC1 (0.45) HDAC1
SCHEMBL701720 0.81 HDAC1 (0.55) HDAC1CDK2CCNE1CDK4
SCHEMBL699060 0.79 HDAC1 (0.61) HDAC1CDK2CCNE1CDK4IGF1R
SCHEMBL701093 0.77 IGF1R (0.42) CDK2CCNE1CDK4IGF1R

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-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

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 16/4885CCNE1 75/4885

“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.