SCHEMBL7977441

SCHEMBL7977441

Cc1nc2cc(C(F)(F)F)ccn2c1-c1ccnc(Nc2ccc(C(=O)O)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.54
CDK4 P11802 6/20 0.54
CCNE1 P24864 5/20 0.54
AURKA O14965 5/20 0.52
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
CAMK2D Q13557 3/20 0.46
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
IKBKG Q9Y6K9 1/20 0.44
CDK1 P06493 1/20 0.44
GSK3B P49841 1/20 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
SCHEMBL699170 0.91 CDK2 (0.50) CDK2CDK4CCNE1AURKACAMK2D
SCHEMBL7977540 0.89 CDK2 (0.49) CDK2CDK4CCNE1AURKACDK1
SCHEMBL7977600 0.86 CDK2 (0.53) CDK2CDK4CCNE1AURKACCNT1
SCHEMBL700586 0.84 HDAC1 (0.61) CDK2CDK4CCNE1
SCHEMBL7981330 0.84 CDK2 (0.55) CDK2CDK4CCNE1AURKACCNT1
SCHEMBL7977194 0.84 CDK2 (0.55) CDK2CDK4CCNE1AURKACCNT1
SCHEMBL10251986 0.83 CCNT1 (0.46) CDK2CDK4CCNE1AURKACCNT1
SCHEMBL7976842 0.83 CDK2 (0.54) CDK2CDK4CCNE1AURKACCNT1
SCHEMBL7975412 0.83 CDK2 (0.54) CDK2CDK4CCNE1AURKACCNT1
SCHEMBL7978515 0.82 CDK2 (0.60) CDK2CDK4CCNE1AURKACCNT1

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 3 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 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 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.