Sugi Predict

Sugi Predict / Compounds / SCHEMBL3021669

SCHEMBL3021669

SCHEMBL3021669

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

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.61
▸ CCNE1 P24864 15/20 0.61
▸ FLT3 P36888 14/20 0.61
▸ PDGFRA P16234 1/20 0.43
▸ SYK P43405 2/20 0.42
▸ KIT P10721 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ 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
SCHEMBL3021676 1.00 CDK2 (0.61) CDK2CCNE1FLT3PDGFRASYK
SCHEMBL3023887 0.89 CCNE1 (0.69) CDK2CCNE1FLT3PDGFRASYK
SCHEMBL3023881 0.89 CCNE1 (0.69) CDK2CCNE1FLT3PDGFRASYK
SCHEMBL12013113 0.89 CDK2 (0.68) CDK2CCNE1FLT3SYKKIT
SCHEMBL12012864 0.89 CDK2 (0.68) CDK2CCNE1FLT3SYKKIT
SCHEMBL3023552 0.87 CCNE1 (0.59) CDK2CCNE1FLT3SYKKIT
SCHEMBL3021158 0.87 CCNE1 (0.59) CDK2CCNE1FLT3SYKKIT
SCHEMBL3023548 0.87 CCNE1 (0.59) CDK2CCNE1FLT3SYKKIT
SCHEMBL3021151 0.87 CCNE1 (0.59) CDK2CCNE1FLT3SYKKIT
SCHEMBL3529667 0.86 CDK2 (0.59) CDK2CCNE1FLT3PDGFRASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 — — EP claimed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US claimed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 — — US claimed
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 — — US disclosed
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
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 — — 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 (3 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 CDK2 50/4885CCNE1 598/4885FLT3 155/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 CDK2 40/4885CCNE1 468/4885FLT3 345/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 CDK2 67/4885CCNE1 538/4885FLT3 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.