SCHEMBL3012108

SCHEMBL3012108

CCN(CC)C(=O)c1ccc(Nc2cc(N[C@H]3CCCNC3)nn3ccnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.46
CDK2 P24941 5/20 0.46
CCNE1 P24864 2/20 0.46
MAPKAPK2 P49137 6/20 0.41
JAK1 P23458 2/20 0.39
JAK2 O60674 1/20 0.39
SYK P43405 2/20 0.37
ACP1 P24666 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CHEK2 O96017 1/20 0.37
TYK2 P29597 1/20 0.36
PRKCZ Q05513 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
BTK Q06187 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
SCHEMBL3024032 0.85 CCNE1 (0.61) FLT3CDK2CCNE1IRAK4
SCHEMBL3024033 0.85 CCNE1 (0.61) FLT3CDK2CCNE1IRAK4
SCHEMBL3023189 0.85 CDK2 (0.52) FLT3CDK2CCNE1MAPKAPK2JAK1
SCHEMBL3017898 0.84 CDK2 (0.51) FLT3CDK2CCNE1MAPKAPK2JAK1
SCHEMBL5468752 0.83 MAPKAPK2 (0.53) FLT3CDK2CCNE1MAPKAPK2JAK1
SCHEMBL3018859 0.82 CDK2 (0.50) FLT3CDK2CCNE1MAPKAPK2SYK
SCHEMBL3023084 0.82 CDK2 (0.50) FLT3CDK2CCNE1MAPKAPK2SYK
SCHEMBL9004584 0.82 BTK (0.54) FLT3CDK2CCNE1MAPKAPK2SYK
SCHEMBL3022676 0.80 CDK2 (0.56) FLT3CDK2CCNE1MAPKAPK2
SCHEMBL3023353 0.80 CDK2 (0.53) FLT3CDK2CCNE1MAPKAPK2JAK1

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 FLT3 345/4885CDK2 40/4885CCNE1 468/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 FLT3 334/4885CDK2 67/4885CCNE1 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.