SCHEMBL7965034

SCHEMBL7965034

COc1ccc2nc(C)c(-c3ccnc(Nc4ccc(C(=O)O)cc4)n3)n2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.53
CDK4 P11802 5/20 0.53
CCNE1 P24864 4/20 0.53
CCNT1 O60563 1/20 0.50
CDK9 P50750 1/20 0.50
CDK1 P06493 1/20 0.49
CAMK2D Q13557 2/20 0.47
CHEK1 O14757 1/20 0.47
NTRK2 Q16620 1/20 0.47
AURKA O14965 3/20 0.46
AURKB Q96GD4 2/20 0.46
AKT1 P31749 1/20 0.46
KDR P35968 1/20 0.46
PLK1 P53350 1/20 0.46
PTK2 Q05397 1/20 0.46
ATM Q13315 1/20 0.45
GSK3B P49841 1/20 0.44
JAK2 O60674 1/20 0.44
PIK3CG P48736 2/20 0.44
MAPK8 P45983 1/20 0.44

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
SCHEMBL7964916 0.92 CDK2 (0.51) CDK2CDK4CCNE1CDK1AURKA
SCHEMBL7989402 0.91 CDK2 (0.50) CDK2CDK4CCNE1CCNT1CDK9
SCHEMBL700145 0.91 CDK2 (0.49) CDK2CDK4CCNE1CCNT1CDK9
SCHEMBL7964780 0.89 CDK2 (0.54) CDK2CDK4CCNE1CCNT1CDK9
SCHEMBL7981330 0.86 CDK2 (0.55) CDK2CDK4CCNE1CCNT1CDK9
SCHEMBL698980 0.84 HDAC1 (0.64) CDK2CDK4CCNE1KDRJAK2
SCHEMBL7977600 0.84 CDK2 (0.53) CDK2CDK4CCNE1CCNT1CDK9
SCHEMBL1684693 0.82 CDK2 (0.80) CDK2CDK4CCNE1CDK1CAMK2D
SCHEMBL700984 0.82 CDK2 (0.47) CDK2CDK4CCNE1CDK1CAMK2D
SCHEMBL7980921 0.80 CDK2 (0.43) CDK2CDK4CCNE1CDK1JAK2

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 5 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-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 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.