SCHEMBL1031016

SCHEMBL1031016

O=C(Nc1nc(-c2ccccc2)cs1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.56
USP8 P40818 4/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 2/20 0.56
CSNK2A2 P19784 1/20 0.56
CSNK2B P67870 1/20 0.56
CSNK2A1 P68400 1/20 0.56
CSNK2A3 Q8NEV1 1/20 0.56
MAPT P10636 3/20 0.55
MAPK1 P28482 2/20 0.55
CFTR P13569 2/20 0.54
SIRT5 Q9NXA8 1/20 0.54
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
MPL P40238 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
ROCK1 Q13464 1/20 0.49

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
SCHEMBL1034526 0.90 SIRT5 (0.49) USP2USP8RAB9AMEN1KMT2A
SCHEMBL1032901 0.89 NPC1 (0.50) USP2USP8RAB9AMEN1KMT2A
SCHEMBL17772349 0.88 SIRT5 (0.45) USP2USP8RAB9AMEN1KMT2A
SCHEMBL1034065 0.85 RXFP1 (0.53) RAB9AMEN1KMT2AMAPTMAPK1
SCHEMBL1034835 0.83 SIRT2 (0.51) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL1034332 0.83 SCN9A (0.49) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL1034646 0.83 BCL2L1 (0.55) USP2USP8RAB9AMEN1KMT2A
SCHEMBL1033833 0.82 RAB9A (0.50) RAB9AMEN1KMT2ANPC1CSNK2A2
SCHEMBL12673075 0.82 PARP1 (0.60) USP2USP8RAB9AMEN1KMT2A
SCHEMBL1031635 0.82 ITGB3 (0.43) USP2USP8CSNK2A2CSNK2BCSNK2A1

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 7 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
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 USP2 1852/4885USP8 2576/4885RAB9A 660/4885

“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.