SCHEMBL5468752

SCHEMBL5468752

CCOc1ccc(Nc2cc(NC3CCCNC3)nn3ccnc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 10/20 0.53
CDK2 P24941 6/20 0.53
CHEK2 O96017 1/20 0.53
FLT3 P36888 3/20 0.47
CCNE1 P24864 1/20 0.47
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
SYK P43405 1/20 0.36

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
SCHEMBL3023084 0.86 CDK2 (0.50) MAPKAPK2CDK2FLT3CCNE1SYK
SCHEMBL3018859 0.86 CDK2 (0.50) MAPKAPK2CDK2FLT3CCNE1SYK
SCHEMBL3018299 0.84 FLT3 (0.49) MAPKAPK2CDK2FLT3CCNE1
SCHEMBL12012863 0.83 CCNE1 (0.64) MAPKAPK2CDK2FLT3CCNE1
SCHEMBL3012108 0.83 FLT3 (0.46) MAPKAPK2CDK2CHEK2FLT3CCNE1
SCHEMBL3023353 0.82 CDK2 (0.53) MAPKAPK2CDK2CHEK2FLT3CCNE1
SCHEMBL3022676 0.82 CDK2 (0.56) MAPKAPK2CDK2FLT3CCNE1
SCHEMBL3023189 0.81 CDK2 (0.52) MAPKAPK2CDK2FLT3CCNE1JAK2
SCHEMBL3017898 0.80 CDK2 (0.51) MAPKAPK2CDK2FLT3CCNE1JAK2
SCHEMBL3025821 0.80 FLT3 (0.45) MAPKAPK2CDK2FLT3CCNE1JAK2

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 11 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
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-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-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
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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 (3 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 MAPKAPK2 25/4885CDK2 50/4885CHEK2 184/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 MAPKAPK2 23/4885CDK2 40/4885CHEK2 157/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 MAPKAPK2 24/4885CDK2 67/4885CHEK2 133/4885

“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.