Sugi Predict

Sugi Predict / Compounds / SCHEMBL3022176

SCHEMBL3022176

SCHEMBL3022176

Nc1cc(N[C@H]2CC[C@H](NC(=O)O)CC2)nn2ccnc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ IRAK4 Q9NWZ3 4/20 0.39
▸ TYK2 P29597 2/20 0.38
▸ HCAR3 P49019 1/20 0.35
▸ MAPK8 P45983 4/20 0.35
▸ MAPK14 Q16539 2/20 0.34
▸ SYK P43405 4/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ TTK P33981 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
SCHEMBL3022172 1.00 CCNE1 (0.43) CCNE1CDK2FLT3IRAK4TYK2
SCHEMBL14547375 0.85 CDK2 (0.53) CCNE1CDK2FLT3MAPK8
SCHEMBL3013081 0.82 CCNE1 (0.58) CCNE1CDK2FLT3IRAK4TYK2
SCHEMBL3013076 0.82 CCNE1 (0.58) CCNE1CDK2FLT3IRAK4TYK2
SCHEMBL3526593 0.82 CCNE1 (0.38) CCNE1CDK2FLT3IRAK4TYK2
SCHEMBL3526595 0.81 IRAK4 (0.36) CCNE1CDK2FLT3IRAK4SYK
SCHEMBL4760303 0.80 CCNE1 (0.56) CCNE1CDK2FLT3IRAK4TYK2
SCHEMBL3023617 0.78 CCNE1 (0.44) CCNE1CDK2FLT3IRAK4TYK2
SCHEMBL3023613 0.78 CCNE1 (0.44) CCNE1CDK2FLT3IRAK4TYK2
SCHEMBL3026553 0.77 FLT3 (0.45) CCNE1CDK2FLT3IRAK4TYK2

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 disclosed
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
EP-1928879-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Brystol-Myers Squibb Company (US) 2008-06-11 — — EP disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 — — WO 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 CCNE1 598/4885CDK2 50/4885FLT3 155/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 CCNE1 468/4885CDK2 40/4885FLT3 345/4885
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.