SCHEMBL1033871

SCHEMBL1033871

O=C(Nc1ccccn1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 2/20 0.51
MAPKAPK2 P49137 1/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
CNR2 P34972 1/20 0.48
KMO O15229 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TLR7 Q9NYK1 1/20 0.45
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PARP1 P09874 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL1031023 0.90 FGFR4 (0.55) FGFR4MAPKAPK2CHRNB2CHRNB4CHRNA3
SCHEMBL1034305 0.89 KMO (0.49) FGFR4MAPKAPK2SIRT2CNR2KMO
SCHEMBL1034603 0.88 ALOX15 (0.59) FGFR4MAPKAPK2SIRT2CNR2KMO
SCHEMBL1035234 0.88 MPL (0.52) FGFR4MAPKAPK2CHRNB2CHRNB4CHRNA3
SCHEMBL1033391 0.87 SIRT2 (0.50) FGFR4MAPKAPK2SIRT2CNR2KMO
SCHEMBL1031211 0.86 PARP1 (0.52) FGFR4MAPKAPK2CHRNB2CHRNB4CHRNA3
SCHEMBL1031638 0.86 ALDH1A1 (0.47) FGFR4MAPKAPK2CNR2KMOALDH1A1
SCHEMBL1036232 0.85 SIRT2 (0.50) FGFR4MAPKAPK2CHRNB2CHRNB4CHRNA3
SCHEMBL1033644 0.85 FGFR4 (0.56) FGFR4MAPKAPK2KMONPC1RAB9A
SCHEMBL1034065 0.85 RXFP1 (0.53) RAB9AMEN1KMT2APARP1RXFP1

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 1185/4885CHRNB2 2379/4885

“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.