SCHEMBL12653744

SCHEMBL12653744

O=C(Nc1cccc(N2CCOCC2)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.49
▸ FGFR4 P22455 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CLK2 P49760 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ STK3 Q13188 1/20 0.44
▸ HIPK4 Q8NE63 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ AR P10275 1/20 0.44
▸ AKT1 P31749 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ SMG1 Q96Q15 1/20 0.42
▸ RAF1 P04049 6/20 0.41
▸ BRAF P15056 6/20 0.41
▸ KIF18A Q8NI77 6/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL12806052 0.97 CNR2 (0.47) CNR2FGFR4GAAKDM4ECLK2
SCHEMBL1817976 0.94 FGFR4 (0.47) CNR2FGFR4GAAKDM4ECLK2
Trifluoroacetic Acid SCHEMBL12805716 0.91 FGFR4 (0.45) CNR2FGFR4GAAKDM4ECLK2
SCHEMBL18427269 0.91 FGFR4 (0.44) CNR2FGFR4GAAKDM4ECLK2
SCHEMBL1836710 0.88 FGFR4 (0.46) CNR2FGFR4GAAKDM4ECLK2
SCHEMBL18427329 0.88 CNR2 (0.50) CNR2GAAKDM4ECLK2GSK3A
SCHEMBL12958958 0.86 CNR2 (0.46) CNR2FGFR4AR
SCHEMBL12654443 0.85 CNR2 (0.48) CNR2GAAKDM4ECLK2GSK3A
SCHEMBL12653771 0.85 FGFR4 (0.54) CNR2FGFR4
SCHEMBL12654380 0.84 FGFR4 (0.52) CNR2FGFR4CLK2GSK3BCLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 — — EP disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 — — EP disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 — — US disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 — — US disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 — — WO 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-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 1081/4885FGFR4 1940/4885GAA 1673/4885

“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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