Sugi Predict

Sugi Predict / Compounds / SCHEMBL3013546

SCHEMBL3013546

SCHEMBL3013546

Nc1cc(Nc2ccc(-n3cccc3)cc2)c2nc([C@H]3CC[C@H](N)CC3)cn2n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.33
▸ CCNE1 P24864 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ SYK P43405 1/20 0.32
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ PDGFRA P16234 1/20 0.30

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
SCHEMBL3010743 1.00 SRC (0.33) SRCCCNE1CDK2FLT3SYK
SCHEMBL3531102 0.89 LMNA (0.36) CCNE1CDK2FLT3SYKPSEN1
SCHEMBL3011161 0.87 SRC (0.36) SRCCCNE1CDK2FLT3
SCHEMBL3006895 0.87 SRC (0.43) SRCCCNE1CDK2FLT3PDGFRA
SCHEMBL3018102 0.87 SRC (0.43) SRCCCNE1CDK2FLT3PDGFRA
SCHEMBL3023110 0.87 SRC (0.43) SRCCCNE1CDK2FLT3PDGFRA
SCHEMBL3009174 0.87 PDGFRA (0.41) SRCCCNE1CDK2FLT3SYK
SCHEMBL3022656 0.87 PDGFRA (0.41) SRCCCNE1CDK2FLT3SYK
SCHEMBL3012712 0.85 MAPT (0.42) SRCCCNE1CDK2FLT3PSEN1
SCHEMBL3021675 0.85 MAPT (0.42) SRCCCNE1CDK2FLT3PSEN1

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
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
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 (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 SRC 114/4885CCNE1 598/4885CDK2 50/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 SRC 159/4885CCNE1 468/4885CDK2 40/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 SRC 138/4885CCNE1 538/4885CDK2 67/4885

“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.