SCHEMBL3023613

SCHEMBL3023613

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
FLT3 P36888 1/20 0.44
TTK P33981 3/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
INCENP Q9NQS7 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.40
ATM Q13315 1/20 0.40
SYK P43405 6/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
BTK Q06187 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDR P35968 2/20 0.37
TYK2 P29597 1/20 0.37
MDM4 O15151 1/20 0.37
TP53 P04637 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
SCHEMBL3023617 1.00 CCNE1 (0.44) CCNE1CDK2FLT3TTKAURKA
SCHEMBL3532910 0.91 CDK2 (0.54) CCNE1CDK2FLT3TTKAURKA
SCHEMBL4576589 0.91 CDK2 (0.54) CCNE1CDK2FLT3TTKAURKA
SCHEMBL3026549 0.87 FLT3 (0.45) CCNE1CDK2FLT3AURKBIRAK4
SCHEMBL3026553 0.87 FLT3 (0.45) CCNE1CDK2FLT3AURKBIRAK4
SCHEMBL4760303 0.85 CCNE1 (0.56) CCNE1CDK2FLT3TTKIRAK4
SCHEMBL3527301 0.84 CCNE1 (0.39) CCNE1CDK2FLT3TTKAURKA
SCHEMBL3527302 0.84 BTK (0.38) CCNE1CDK2FLT3TTKAURKA
SCHEMBL3023237 0.82 CCNE1 (0.54) CCNE1CDK2FLT3AURKBIRAK4
SCHEMBL3023241 0.82 CCNE1 (0.54) CCNE1CDK2FLT3AURKBIRAK4

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 5 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
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 EP 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

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 CCNE1 598/4885CDK2 50/4885FLT3 155/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 CCNE1 468/4885CDK2 40/4885FLT3 345/4885

“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.