SCHEMBL3524368

SCHEMBL3524368

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 7/20 0.49
CDK2 P24941 7/20 0.49
FLT3 P36888 7/20 0.49
IRAK4 Q9NWZ3 5/20 0.37
SYK P43405 4/20 0.34
BTK Q06187 2/20 0.34
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
MET P08581 1/20 0.33
PIM1 P11309 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33

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
SCHEMBL3530622 0.89 CCNE1 (0.51) CCNE1CDK2FLT3IRAK4SYK
SCHEMBL3531995 0.86 CCNE1 (0.47) CCNE1CDK2FLT3IRAK4SYK
SCHEMBL3023572 0.86 CCNE1 (0.55) CCNE1CDK2FLT3IRAK4SYK
SCHEMBL3023567 0.86 CCNE1 (0.55) CCNE1CDK2FLT3IRAK4SYK
SCHEMBL3007223 0.82 CCNE1 (0.69) CCNE1CDK2FLT3KIT
SCHEMBL3007217 0.82 CCNE1 (0.69) CCNE1CDK2FLT3KIT
SCHEMBL3524371 0.82 CCNE1 (0.46) CCNE1CDK2FLT3IRAK4SYK
SCHEMBL3528297 0.80 CCNE1 (0.40) CCNE1CDK2FLT3IRAK4SYK
SCHEMBL3527301 0.79 CCNE1 (0.39) CCNE1CDK2FLT3IRAK4SYK
SCHEMBL3526593 0.78 CCNE1 (0.38) CCNE1CDK2FLT3IRAK4SYK

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.