SCHEMBL3531995

SCHEMBL3531995

CC(C)(C)N(C(=O)O)[C@H]1CC[C@H](Nc2cc(Nc3ccc(NC(=O)Nc4ccccc4)cc3)c3nccn3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.47
CDK2 P24941 2/20 0.47
FLT3 P36888 2/20 0.47
MAP3K7 O43318 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TAB1 Q15750 1/20 0.38
TYK2 P29597 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
KDR P35968 3/20 0.37
BTK Q06187 1/20 0.37
PDGFRB P09619 1/20 0.36
SYK P43405 6/20 0.36
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
KIT P10721 1/20 0.35

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
SCHEMBL3528297 0.94 CCNE1 (0.40) CCNE1CDK2FLT3MAP3K7CYP3A4
SCHEMBL3530622 0.89 CCNE1 (0.51) CCNE1CDK2FLT3TYK2IRAK4
SCHEMBL3524368 0.86 CCNE1 (0.49) CCNE1CDK2FLT3IRAK4KDR
SCHEMBL3023237 0.85 CCNE1 (0.54) CCNE1CDK2FLT3MAP3K7CYP3A4
SCHEMBL3023241 0.85 CCNE1 (0.54) CCNE1CDK2FLT3MAP3K7CYP3A4
SCHEMBL3527301 0.85 CCNE1 (0.39) CCNE1CDK2FLT3IRAK4BTK
SCHEMBL3529300 0.85 CDK2 (0.64) CCNE1CDK2FLT3TYK2KDR
SCHEMBL3529305 0.85 CDK2 (0.64) CCNE1CDK2FLT3TYK2KDR
SCHEMBL3531999 0.82 CCNE1 (0.45) CCNE1CDK2FLT3MAP3K7CYP3A4
SCHEMBL4760303 0.80 CCNE1 (0.56) CCNE1CDK2FLT3TYK2IRAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 CCNE1 538/4885CDK2 67/4885FLT3 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.