SCHEMBL3528302

SCHEMBL3528302

CC(C)(C)C1(NC(=O)O)CCC(Nc2cc(NC(=O)Nc3ccccc3)c3nccn3n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
FLT3 P36888 1/20 0.38
MAP3K7 O43318 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TAB1 Q15750 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
IRAK4 Q9NWZ3 4/20 0.36
PIK3R1 P27986 2/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
ATM Q13315 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
KDR P35968 3/20 0.35
P2RY1 P47900 1/20 0.34

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
SCHEMBL3531999 0.94 CCNE1 (0.45) CCNE1CDK2FLT3MAP3K7CYP3A4
SCHEMBL3527302 0.89 BTK (0.38) CCNE1CDK2FLT3IRAK4ATM
SCHEMBL3026553 0.84 FLT3 (0.45) CCNE1CDK2FLT3MAP3K7CYP3A4
SCHEMBL3026549 0.84 FLT3 (0.45) CCNE1CDK2FLT3MAP3K7CYP3A4
SCHEMBL3530625 0.83 CCNE1 (0.49) CCNE1CDK2FLT3IRAK4TYK2
SCHEMBL3526595 0.81 IRAK4 (0.36) CCNE1CDK2FLT3IRAK4SYK
SCHEMBL3022841 0.81 CDK2 (0.55) CCNE1CDK2FLT3MAP3K7CYP3A4
SCHEMBL3022848 0.81 CDK2 (0.55) CCNE1CDK2FLT3MAP3K7CYP3A4
SCHEMBL3524371 0.81 CCNE1 (0.46) CCNE1CDK2FLT3IRAK4MAPK14
SCHEMBL3528297 0.81 CCNE1 (0.40) CCNE1CDK2FLT3MAP3K7CYP3A4

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.