SCHEMBL3026837

SCHEMBL3026837

COc1ccc(CN(c2ccccc2)c2cc(NC3CCC(N)CC3)nn3c(C(N)=O)cnc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 10/20 0.47
▸ CCNE1 P24864 5/20 0.40
▸ CDK2 P24941 5/20 0.40
▸ FLT3 P36888 4/20 0.40
▸ CCNT1 O60563 2/20 0.38
▸ PDE4D Q08499 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ STAT3 P40763 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ MAPK6 Q16659 1/20 0.34

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
SCHEMBL3026839 1.00 TYK2 (0.47) TYK2CCNE1CDK2FLT3CCNT1
SCHEMBL3529122 0.88 CCNE1 (0.41) CCNE1CDK2FLT3CCNT1AXL
SCHEMBL3529117 0.88 CCNE1 (0.41) CCNE1CDK2FLT3CCNT1AXL
SCHEMBL3527158 0.85 CCNE1 (0.39) CCNE1CDK2FLT3CCNT1AXL
SCHEMBL3527159 0.85 CCNE1 (0.39) CCNE1CDK2FLT3CCNT1AXL
SCHEMBL3013398 0.82 AGTR2 (0.36) CHRM2CHRM1CHRM3
SCHEMBL16515728 0.82 HAVCR2 (0.36) TYK2CCNE1CDK2FLT3CCNT1
SCHEMBL17911324 0.82 HAVCR2 (0.36) TYK2CCNE1CDK2FLT3CCNT1
SCHEMBL3530208 0.82 CCNE1 (0.37) CCNE1CDK2FLT3CCNT1AXL
SCHEMBL3530211 0.82 CCNE1 (0.37) CCNE1CDK2FLT3CCNT1AXL

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 TYK2 419/4885CCNE1 598/4885CDK2 50/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 TYK2 522/4885CCNE1 468/4885CDK2 40/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 TYK2 461/4885CCNE1 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.

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