SCHEMBL3016880

SCHEMBL3016880

CSc1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nn3ccnc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.66
CDK2 P24941 20/20 0.66
FLT3 P36888 20/20 0.66
KIT P10721 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
SCHEMBL3023726 0.89 CDK2 (0.58) CCNE1CDK2FLT3KIT
SCHEMBL3018291 0.88 CDK2 (0.70) CCNE1CDK2FLT3KIT
SCHEMBL3018287 0.88 CDK2 (0.70) CCNE1CDK2FLT3KIT
SCHEMBL3023881 0.87 CCNE1 (0.69) CCNE1CDK2FLT3KIT
SCHEMBL3023887 0.87 CCNE1 (0.69) CCNE1CDK2FLT3KIT
SCHEMBL12013113 0.86 CDK2 (0.68) CCNE1CDK2FLT3KIT
SCHEMBL12012864 0.86 CDK2 (0.68) CCNE1CDK2FLT3KIT
SCHEMBL3018004 0.86 CCNE1 (0.66) CCNE1CDK2FLT3KIT
SCHEMBL3019793 0.85 CCNE1 (0.67) CCNE1CDK2FLT3KIT
SCHEMBL3010745 0.84 FLT3 (0.66) CCNE1CDK2FLT3KIT

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-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 US disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US 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-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 CCNE1 468/4885CDK2 40/4885FLT3 345/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 CCNE1 538/4885CDK2 67/4885FLT3 334/4885

“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.