SCHEMBL1031261

SCHEMBL1031261

O=C(Nc1ccc(CN2CCCC2)cn1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 2/20 0.49
MAPKAPK2 P49137 1/20 0.49
PDCD1 Q15116 5/20 0.47
CD274 Q9NZQ7 5/20 0.47
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
DYRK1A Q13627 1/20 0.44
F10 P00742 2/20 0.42
BRAF P15056 1/20 0.42
CNR2 P34972 2/20 0.42
FGFR3 P22607 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
MAP3K7 O43318 1/20 0.41
IRAK1 P51617 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
STAT3 P40763 1/20 0.41
DRD4 P21917 1/20 0.41
MCHR1 Q99705 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
SCHEMBL1035270 0.87 PDCD1 (0.47) FGFR4MAPKAPK2PDCD1CD274DYRK1A
SCHEMBL1035601 0.86 FGFR4 (0.41) FGFR4MAPKAPK2DYRK1ACNR2DRD4
SCHEMBL13187601 0.84 HIF1A (0.47) PDCD1CD274HIF1AEPAS1DYRK1A
SCHEMBL1032169 0.84 HIF1A (0.44) FGFR4MAPKAPK2HIF1AEPAS1BRAF
SCHEMBL1035299 0.83 SMN1; SMN2 (0.43) CNR2
SCHEMBL1033644 0.82 FGFR4 (0.56) FGFR4MAPKAPK2F10
SCHEMBL1031635 0.80 ITGB3 (0.43)
SCHEMBL1032595 0.79 SCN10A (0.45) FGFR4MAPKAPK2CNR2
SCHEMBL1033836 0.79 CNR2 (0.47) HIF1AEPAS1CNR2
SCHEMBL1076860 0.79 CNR2 (0.55) CNR2

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
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 FGFR4 3855/4885MAPKAPK2 1185/4885PDCD1 3803/4885

“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.