SCHEMBL1034305

SCHEMBL1034305

O=C(Nc1ncccn1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.49
SIRT2 Q8IXJ6 1/20 0.46
FGFR4 P22455 2/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
PARP1 P09874 2/20 0.46
MAPT P10636 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SORT1 Q99523 1/20 0.42
CA12 O43570 1/20 0.41

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
SCHEMBL1034834 0.90 SORT1 (0.57) KMOFGFR4CNR1CNR2MAPKAPK2
SCHEMBL1033871 0.89 FGFR4 (0.51) KMOSIRT2FGFR4CNR2MAPKAPK2
SCHEMBL1034072 0.86 JAK2 (0.51) KMOSIRT2CNR1CNR2MAPT
SCHEMBL1031946 0.86 KDR (0.47) KMOFGFR4MAPKAPK2MAPTEGLN1
SCHEMBL1034065 0.86 RXFP1 (0.53) PARP1MAPTRXFP1LMNAMEN1
SCHEMBL1034835 0.85 SIRT2 (0.51) KMOSIRT2MAPTALDH1A1LMNA
SCHEMBL1034603 0.85 ALOX15 (0.59) KMOSIRT2FGFR4CNR1CNR2
SCHEMBL1035234 0.85 MPL (0.52) KMOFGFR4CNR1CNR2MAPKAPK2
SCHEMBL1033800 0.84 KMO (0.47) KMOMAPTEGLN1RXFP1MEN1
SCHEMBL1033391 0.83 SIRT2 (0.50) KMOSIRT2FGFR4CNR1CNR2

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 KMO 256/4885SIRT2 3/4885FGFR4 3855/4885

“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.