SCHEMBL1034603

SCHEMBL1034603

O=C(Nc1cnccn1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
CASP1 P29466 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59
SIRT2 Q8IXJ6 1/20 0.51
FGFR4 P22455 2/20 0.49
MAPKAPK2 P49137 1/20 0.49
KMO O15229 1/20 0.45
PARP1 P09874 1/20 0.44
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
DYRK1A Q13627 4/20 0.42
DYRK3 O43781 3/20 0.42
PRKD3 O94806 3/20 0.42
MAP4K4 O95819 3/20 0.42
CDK2 P24941 3/20 0.42
CLK2 P49760 3/20 0.42
GSK3B P49841 3/20 0.42

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
SCHEMBL1033871 0.88 FGFR4 (0.51) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL1034164 0.86 SIRT2 (0.54) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL1035234 0.86 MPL (0.52) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL1032899 0.86 SIRT2 (0.51) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL1031251 0.85 SIRT2 (0.56) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL1032356 0.85 CSF1R (0.54) TSHRNPSR1SIRT2KDRRXFP1
SCHEMBL1034305 0.85 KMO (0.49) SIRT2FGFR4MAPKAPK2KMOPARP1
SCHEMBL1034072 0.84 JAK2 (0.51) NPSR1SIRT2KMOKDRFLT4
SCHEMBL1033644 0.83 FGFR4 (0.56) ALOX15TSHRFGFR4MAPKAPK2KMO
SCHEMBL1033391 0.83 SIRT2 (0.50) SIRT2FGFR4MAPKAPK2KMOPARP1

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 ALOX15 2360/4885TSHR 2809/4885CASP1 252/4885

“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.