SCHEMBL3014540

SCHEMBL3014540

N[C@H]1CC[C@H](Nc2cc(Nc3cccc(CCc4ccccc4)c3)c3nccn3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.57
CCNE1 P24864 10/20 0.57
FLT3 P36888 10/20 0.57
MAPKAPK2 P49137 3/20 0.43
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
SYK P43405 4/20 0.39
CCNT1 O60563 1/20 0.38
MAPK8 P45983 1/20 0.38

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
SCHEMBL3527132 0.93 CDK2 (0.57) CDK2CCNE1FLT3MAPKAPK2KIT
SCHEMBL3529667 0.91 CDK2 (0.59) CDK2CCNE1FLT3MAPKAPK2KIT
SCHEMBL12012864 0.89 CDK2 (0.68) CDK2CCNE1FLT3MAPKAPK2KIT
SCHEMBL12013113 0.89 CDK2 (0.68) CDK2CCNE1FLT3MAPKAPK2KIT
SCHEMBL3022882 0.87 CDK2 (0.64) CDK2CCNE1FLT3MAPKAPK2KIT
SCHEMBL4575796 0.86 CCNE1 (0.61) CDK2CCNE1FLT3KIT
SCHEMBL3020100 0.85 CDK2 (0.57) CDK2CCNE1FLT3MAPKAPK2KIT
SCHEMBL3021676 0.85 CDK2 (0.61) CDK2CCNE1FLT3MAPKAPK2KIT
SCHEMBL3021669 0.85 CDK2 (0.61) CDK2CCNE1FLT3MAPKAPK2KIT
SCHEMBL3014537 0.84 CDK2 (0.56) CDK2CCNE1FLT3MAPKAPK2KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 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-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 CDK2 40/4885CCNE1 468/4885FLT3 345/4885

“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.