SCHEMBL3523726

SCHEMBL3523726

N[C@H]1CC[C@H](Nc2cc(Nc3ccc(C(=O)N4CCC(c5ccccc5)C4)cc3)c3nccn3n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 14/20 0.59
CDK2 P24941 14/20 0.59
FLT3 P36888 14/20 0.59
KIT P10721 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
BTK Q06187 1/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39

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
SCHEMBL4708842 0.88 CCNE1 (0.70) CCNE1CDK2FLT3KIT
SCHEMBL3010145 0.87 CCNE1 (0.69) CCNE1CDK2FLT3KIT
SCHEMBL3618938 0.84 FLT3 (0.62) CCNE1CDK2FLT3KITBTK
SCHEMBL3024595 0.83 CCNE1 (0.67) CCNE1CDK2FLT3KIT
SCHEMBL3024597 0.83 CCNE1 (0.67) CCNE1CDK2FLT3KIT
SCHEMBL3017522 0.82 CCNE1 (0.61) CCNE1CDK2FLT3KITBTK
SCHEMBL3017516 0.82 CCNE1 (0.61) CCNE1CDK2FLT3KITBTK
SCHEMBL3779575 0.82 CCNE1 (0.47) CCNE1CDK2FLT3KIT
SCHEMBL3779569 0.82 CCNE1 (0.47) CCNE1CDK2FLT3KIT
SCHEMBL3014838 0.82 FLT3 (0.67) CCNE1CDK2FLT3KIT

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.