SCHEMBL7978465

SCHEMBL7978465

COC(=O)c1cnc(Nc2cc(-c3c(C)nc4ccccn34)ccn2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.47
CDK4 P11802 5/20 0.47
CCNE1 P24864 4/20 0.47
XIAP P98170 1/20 0.43
BIRC2 Q13490 1/20 0.43
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
MET P08581 1/20 0.42
PDGFRA P16234 1/20 0.42
PRKACA P17612 1/20 0.42
LTK P29376 1/20 0.42
GRK5 P34947 1/20 0.42
KDR P35968 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42

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
SCHEMBL7975631 0.90 CDK2 (0.44) CDK2CDK4CCNE1XIAPBIRC2
SCHEMBL700972 0.89 HDAC6 (0.47) CDK2CDK4CCNE1XIAPBIRC2
SCHEMBL7975428 0.87 CDK2 (0.47) CDK2CDK4CCNE1XIAPBIRC2
SCHEMBL10252168 0.84 XIAP (0.47) CDK2CDK4CCNE1XIAPBIRC2
SCHEMBL10252455 0.82 CDK2 (0.45) CDK2CDK4CCNE1XIAPBIRC2
SCHEMBL700084 0.80 XIAP (0.45) CDK2CDK4CCNE1XIAPBIRC2
SCHEMBL7978508 0.79 CDK2 (0.51) CDK2CDK4CCNE1XIAPBIRC2
SCHEMBL10252204 0.78 SYK (0.48) XIAPBIRC2CDK9MAPK1ALDH1A1
SCHEMBL7988076 0.78 CDK2 (0.61) CDK2CDK4CCNE1PRKD3ABL1
SCHEMBL7964374 0.78 XIAP (0.48) CDK2CDK4CCNE1XIAPBIRC2

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.