SCHEMBL3529667

SCHEMBL3529667

NCc1cccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nn3ccnc23)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.59
FLT3 P36888 14/20 0.59
CCNE1 P24864 13/20 0.59
SYK P43405 1/20 0.44
MAPKAPK2 P49137 3/20 0.40
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.38
MAPK8 P45983 1/20 0.37

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
SCHEMBL3019793 0.91 CCNE1 (0.67) CDK2FLT3CCNE1SYKKIT
SCHEMBL3527132 0.91 CDK2 (0.57) CDK2FLT3CCNE1SYKMAPKAPK2
SCHEMBL3014540 0.91 CDK2 (0.57) CDK2FLT3CCNE1SYKMAPKAPK2
SCHEMBL4575796 0.88 CCNE1 (0.61) CDK2FLT3CCNE1KIT
SCHEMBL12012864 0.87 CDK2 (0.68) CDK2FLT3CCNE1SYKMAPKAPK2
SCHEMBL12013113 0.87 CDK2 (0.68) CDK2FLT3CCNE1SYKMAPKAPK2
SCHEMBL3021669 0.86 CDK2 (0.61) CDK2FLT3CCNE1SYKMAPKAPK2
SCHEMBL3021676 0.86 CDK2 (0.61) CDK2FLT3CCNE1SYKMAPKAPK2
SCHEMBL3022882 0.85 CDK2 (0.64) CDK2FLT3CCNE1SYKMAPKAPK2
SCHEMBL3011669 0.84 CCNE1 (0.58) CDK2FLT3CCNE1

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-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
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 CDK2 50/4885FLT3 155/4885CCNE1 598/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 CDK2 67/4885FLT3 334/4885CCNE1 538/4885

“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.