SCHEMBL3026549

SCHEMBL3026549

O=C(O)NC1CCC(Nc2cc(NC(=O)Nc3ccccc3)c3nccn3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
TYK2 P29597 1/20 0.41
KDR P35968 4/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 2/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
MAP3K7 O43318 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TAB1 Q15750 1/20 0.39
PDGFRB P09619 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3R1 P27986 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
SCHEMBL3026553 1.00 FLT3 (0.45) FLT3CCNE1CDK2TYK2KDR
SCHEMBL3023237 0.93 CCNE1 (0.54) FLT3CCNE1CDK2TYK2KDR
SCHEMBL3023241 0.93 CCNE1 (0.54) FLT3CCNE1CDK2TYK2KDR
SCHEMBL3022848 0.91 CDK2 (0.55) FLT3CCNE1CDK2TYK2KDR
SCHEMBL3022841 0.91 CDK2 (0.55) FLT3CCNE1CDK2TYK2KDR
SCHEMBL4760303 0.89 CCNE1 (0.56) FLT3CCNE1CDK2TYK2IRAK4
SCHEMBL3023613 0.87 CCNE1 (0.44) FLT3CCNE1CDK2TYK2KDR
SCHEMBL3023617 0.87 CCNE1 (0.44) FLT3CCNE1CDK2TYK2KDR
SCHEMBL3528297 0.85 CCNE1 (0.40) FLT3CCNE1CDK2TYK2KDR
SCHEMBL3529300 0.85 CDK2 (0.64) FLT3CCNE1CDK2TYK2KDR

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

“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.