SCHEMBL1032899

SCHEMBL1032899

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.51
ABL1 P00519 5/20 0.50
DYRK1A Q13627 2/20 0.45
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MPL P40238 1/20 0.42
OPRM1 P35372 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 1/20 0.41
FGFR4 P22455 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
FYN P06241 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
BRAF P15056 1/20 0.41
NPY5R Q15761 1/20 0.40
DHODH Q02127 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
SCHEMBL1036232 0.89 SIRT2 (0.50) SIRT2ABL1MPLFGFR4MAPKAPK2
SCHEMBL1030617 0.86 ABL1 (0.52) SIRT2ABL1DYRK1ATSHRNPSR1
SCHEMBL1034603 0.86 ALOX15 (0.59) SIRT2DYRK1AALOX15TSHRCASP1
SCHEMBL1032167 0.85 MEN1 (0.48) SIRT2ABL1MPLOPRM1KCNH2
SCHEMBL1034164 0.84 SIRT2 (0.54) SIRT2ABL1ALOX15TSHRCASP1
SCHEMBL1031251 0.83 SIRT2 (0.56) SIRT2ABL1ALOX15TSHRCASP1
SCHEMBL1033187 0.82 ABL1 (0.47) ABL1OPRM1KCNH2FYNDHODH
SCHEMBL12673087 0.82 DHODH (0.59) SIRT2ABL1ALOX15TSHRCASP1
SCHEMBL13187920 0.81 SIRT2 (0.48) SIRT2ABL1DYRK1AALOX15TSHR
SCHEMBL1029914 0.81 NPC1 (0.52) ABL1DYRK1AALOX15TSHRMPL

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 SIRT2 3/4885ABL1 3468/4885DYRK1A 1745/4885

“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.