SCHEMBL3526595

SCHEMBL3526595

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.36
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
FLT3 P36888 1/20 0.35
SYK P43405 11/20 0.33
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31

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
SCHEMBL3530625 0.85 CCNE1 (0.49) IRAK4CCNE1CDK2FLT3SYK
SCHEMBL3527302 0.82 BTK (0.38) IRAK4CCNE1CDK2FLT3SYK
SCHEMBL3528302 0.81 CCNE1 (0.38) IRAK4CCNE1CDK2FLT3SYK
SCHEMBL3022172 0.81 CCNE1 (0.43) IRAK4CCNE1CDK2FLT3SYK
SCHEMBL3022176 0.81 CCNE1 (0.43) IRAK4CCNE1CDK2FLT3SYK
SCHEMBL3531999 0.79 CCNE1 (0.45) IRAK4CCNE1CDK2FLT3SYK
SCHEMBL3524371 0.79 CCNE1 (0.46) IRAK4CCNE1CDK2FLT3SYK
SCHEMBL3526593 0.77 CCNE1 (0.38) IRAK4CCNE1CDK2FLT3SYK
SCHEMBL14547375 0.74 CDK2 (0.53) CCNE1CDK2FLT3
SCHEMBL4128726 0.71 KDM4E (0.48)

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 IRAK4 998/4885CCNE1 538/4885CDK2 67/4885

“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.