SCHEMBL3018859

SCHEMBL3018859

c1ccc(Nc2cc(N[C@H]3CCCNC3)nn3ccnc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.50
FLT3 P36888 2/20 0.50
CCNE1 P24864 1/20 0.50
IRAK4 Q9NWZ3 2/20 0.43
PRKCZ Q05513 5/20 0.42
PRKD2 Q9BZL6 3/20 0.42
MAPKAPK2 P49137 1/20 0.41
SYK P43405 8/20 0.39
IDH2 P48735 1/20 0.39
PIM1 P11309 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
SCHEMBL3023084 1.00 CDK2 (0.50) CDK2FLT3CCNE1IRAK4PRKCZ
SCHEMBL3025821 0.89 FLT3 (0.45) CDK2FLT3CCNE1IRAK4PRKCZ
SCHEMBL3018299 0.88 FLT3 (0.49) CDK2FLT3CCNE1IRAK4MAPKAPK2
SCHEMBL15084636 0.87 CCNE1 (0.57) CDK2FLT3CCNE1SYK
SCHEMBL3023063 0.86 PRKCZ (0.48) CDK2FLT3CCNE1IRAK4PRKCZ
SCHEMBL5468752 0.86 MAPKAPK2 (0.53) CDK2FLT3CCNE1MAPKAPK2SYK
SCHEMBL3023189 0.84 CDK2 (0.52) CDK2FLT3CCNE1IRAK4MAPKAPK2
SCHEMBL3022676 0.84 CDK2 (0.56) CDK2FLT3CCNE1MAPKAPK2
SCHEMBL3017898 0.84 CDK2 (0.51) CDK2FLT3CCNE1IRAK4MAPKAPK2
SCHEMBL3012108 0.82 FLT3 (0.46) CDK2FLT3CCNE1IRAK4PRKCZ

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 CDK2 40/4885FLT3 345/4885CCNE1 468/4885
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.