SCHEMBL7964780

SCHEMBL7964780

COC(=O)c1ccc2nc(C)c(-c3ccnc(Nc4ccc(C(=O)O)cc4)n3)n2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.54
CDK4 P11802 6/20 0.54
CCNE1 P24864 5/20 0.54
CCNT1 O60563 1/20 0.48
CDK9 P50750 1/20 0.48
CAMK2D Q13557 2/20 0.48
AURKA O14965 3/20 0.46
CDK1 P06493 1/20 0.45
GSK3B P49841 1/20 0.45
AURKB Q96GD4 1/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
IKBKG Q9Y6K9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SYK P43405 1/20 0.43
TRIM24 O15164 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
SCHEMBL7965034 0.89 CDK2 (0.53) CDK2CDK4CCNE1CCNT1CDK9
SCHEMBL7964916 0.87 CDK2 (0.51) CDK2CDK4CCNE1AURKACDK1
SCHEMBL7977194 0.87 CDK2 (0.55) CDK2CDK4CCNE1CCNT1CDK9
SCHEMBL7989402 0.86 CDK2 (0.50) CDK2CDK4CCNE1CCNT1CDK9
SCHEMBL7977600 0.85 CDK2 (0.53) CDK2CDK4CCNE1CCNT1CDK9
SCHEMBL7964776 0.84 HDAC1 (0.65) CDK2CDK4CCNE1HDAC1
SCHEMBL7978525 0.83 CDK2 (0.73) CDK2CDK4CCNE1AURKACDK1
SCHEMBL1684693 0.83 CDK2 (0.80) CDK2CDK4CCNE1CAMK2DAURKA
SCHEMBL7975457 0.81 CDK2 (0.55) CDK2CDK4CCNE1AURKACDK1
SCHEMBL7978515 0.81 CDK2 (0.60) CDK2CDK4CCNE1CCNT1CDK9

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.