SCHEMBL7981330

SCHEMBL7981330

COc1ccn2c(-c3ccnc(Nc4ccc(C(=O)O)cc4)n3)c(C)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.55
CDK4 P11802 6/20 0.55
CCNE1 P24864 5/20 0.55
CCNT1 O60563 1/20 0.52
CDK9 P50750 1/20 0.52
CDK1 P06493 1/20 0.48
ATM Q13315 1/20 0.47
CAMK2D Q13557 2/20 0.47
IGF1R P08069 2/20 0.45
AURKA O14965 2/20 0.45
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
IKBKG Q9Y6K9 1/20 0.45
CHEK1 O14757 1/20 0.44
NTRK2 Q16620 1/20 0.44
GSK3B P49841 1/20 0.43
MAPK8 P45983 1/20 0.43
PIK3CG P48736 1/20 0.43
CAMKK2 Q96RR4 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
SCHEMBL7976848 0.93 CDK2 (0.53) CDK2CDK4CCNE1CCNT1CDK9
SCHEMBL699814 0.91 CDK2 (0.51) CDK2CDK4CCNE1CCNT1CDK9
SCHEMBL7975343 0.90 CDK2 (0.51) CDK2CDK4CCNE1CCNT1CDK9
SCHEMBL7977194 0.89 CDK2 (0.55) CDK2CDK4CCNE1CCNT1CDK9
SCHEMBL7963827 0.87 CCNT1 (0.51) CDK2CDK4CCNE1CCNT1CDK9
SCHEMBL7978517 0.87 IGF1R (0.53) CDK2CDK4CCNE1CCNT1CDK9
SCHEMBL7965034 0.86 CDK2 (0.53) CDK2CDK4CCNE1CCNT1CDK9
SCHEMBL700171 0.84 HDAC1 (0.62) CDK2CDK4CCNE1IGF1R
SCHEMBL7977441 0.84 CDK2 (0.54) CDK2CDK4CCNE1CCNT1CDK9
SCHEMBL7976842 0.84 CDK2 (0.54) 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 4 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
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.