SCHEMBL4576589

SCHEMBL4576589

NC1CCC(Nc2cc(NC(=O)c3ccccc3)c3nccn3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.54
CCNE1 P24864 2/20 0.54
FLT3 P36888 2/20 0.54
AURKA O14965 1/20 0.42
TTK P33981 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
SMYD3 Q9H7B4 4/20 0.41
KDM1A O60341 1/20 0.41
MAPK8 P45983 1/20 0.40
SYK P43405 4/20 0.39
TYK2 P29597 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
SSTR2 P30874 2/20 0.38
KCNH2 Q12809 1/20 0.38
KIT P10721 1/20 0.38
BTK Q06187 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
IRAK4 Q9NWZ3 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
SCHEMBL3532910 1.00 CDK2 (0.54) CDK2CCNE1FLT3AURKATTK
SCHEMBL3023617 0.91 CCNE1 (0.44) CDK2CCNE1FLT3AURKATTK
SCHEMBL3023613 0.91 CCNE1 (0.44) CDK2CCNE1FLT3AURKATTK
SCHEMBL3026011 0.91 CCNE1 (0.62) CDK2CCNE1FLT3SYKTYK2
SCHEMBL3026006 0.91 CCNE1 (0.62) CDK2CCNE1FLT3SYKTYK2
SCHEMBL3017522 0.88 CCNE1 (0.61) CDK2CCNE1FLT3TTKSYK
SCHEMBL3017516 0.88 CCNE1 (0.61) CDK2CCNE1FLT3TTKSYK
SCHEMBL3007009 0.87 CCNE1 (0.56) CDK2CCNE1FLT3SMYD3SYK
SCHEMBL3007005 0.87 CCNE1 (0.56) CDK2CCNE1FLT3SMYD3SYK
SCHEMBL3022848 0.87 CDK2 (0.55) CDK2CCNE1FLT3AURKBMAPK8

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
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP claimed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US claimed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US claimed

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 50/4885CCNE1 598/4885FLT3 155/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 CDK2 67/4885CCNE1 538/4885FLT3 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.