SCHEMBL701790

SCHEMBL701790

Cc1nc2cc(C(F)(F)F)ccn2c1-c1ccnc(Nc2ccc(C(=O)NO)s2)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.47
CDK4 P11802 6/20 0.47
CCNE1 P24864 5/20 0.47
SYK P43405 3/20 0.37
HDAC1 Q13547 3/20 0.37
IGF1R P08069 1/20 0.37
SRC P12931 2/20 0.36
ZAP70 P43403 2/20 0.36
SORT1 Q99523 1/20 0.35
CDK1 P06493 1/20 0.35

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
SCHEMBL700312 0.88 HDAC1 (0.51) CDK2CDK4CCNE1HDAC1IGF1R
SCHEMBL701105 0.87 CDK2 (0.45) CDK2CDK4CCNE1SYKHDAC1
SCHEMBL699362 0.85 CDK2 (0.43) CDK2CDK4CCNE1SYKIGF1R
SCHEMBL699170 0.84 CDK2 (0.50) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL702195 0.84 CDK2 (0.62) CDK2CDK4CCNE1HDAC1CDK1
SCHEMBL701093 0.81 IGF1R (0.42) CDK2CDK4CCNE1SYKIGF1R
SCHEMBL700180 0.79 CDK2 (0.49) CDK2CDK4CCNE1SYKHDAC1
SCHEMBL7977441 0.79 CDK2 (0.54) CDK2CDK4CCNE1CDK1
SCHEMBL7977540 0.76 CDK2 (0.49) CDK2CDK4CCNE1SYKHDAC1
SCHEMBL701720 0.75 HDAC1 (0.55) CDK2CDK4CCNE1HDAC1

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 CDK2 16/4885CDK4 15/4885CCNE1 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.