SCHEMBL3013076

SCHEMBL3013076

Nc1ccc(Nc2cc(NC3CCC(NC(=O)O)CC3)nn3ccnc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 8/20 0.58
CDK2 P24941 8/20 0.58
FLT3 P36888 8/20 0.58
IRAK4 Q9NWZ3 4/20 0.41
TYK2 P29597 3/20 0.41
SYK P43405 5/20 0.39
KIT P10721 1/20 0.38

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
SCHEMBL3013081 1.00 CCNE1 (0.58) CCNE1CDK2FLT3IRAK4TYK2
SCHEMBL4760303 0.91 CCNE1 (0.56) CCNE1CDK2FLT3IRAK4TYK2
SCHEMBL3018291 0.88 CDK2 (0.70) CCNE1CDK2FLT3KIT
SCHEMBL3018287 0.88 CDK2 (0.70) CCNE1CDK2FLT3KIT
SCHEMBL3023241 0.87 CCNE1 (0.54) CCNE1CDK2FLT3IRAK4TYK2
SCHEMBL3023237 0.87 CCNE1 (0.54) CCNE1CDK2FLT3IRAK4TYK2
SCHEMBL3023572 0.87 CCNE1 (0.55) CCNE1CDK2FLT3IRAK4TYK2
SCHEMBL3023567 0.87 CCNE1 (0.55) CCNE1CDK2FLT3IRAK4TYK2
SCHEMBL3530622 0.85 CCNE1 (0.51) CCNE1CDK2FLT3IRAK4TYK2
SCHEMBL3530625 0.84 CCNE1 (0.49) CCNE1CDK2FLT3IRAK4TYK2

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
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP disclosed
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 US disclosed
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 EP disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 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 (2 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 CCNE1 598/4885CDK2 50/4885FLT3 155/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 CCNE1 468/4885CDK2 40/4885FLT3 345/4885

“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.