SCHEMBL1075398

SCHEMBL1075398

O=C(Nc1cccc(N2CCOCC2)n1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.52
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
KIF18A Q8NI77 9/20 0.46
AR P10275 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CSNK2A1 P68400 1/20 0.46
STK3 Q13188 1/20 0.46
HIPK4 Q8NE63 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
RAF1 P04049 2/20 0.44
BRAF P15056 2/20 0.44
AKT1 P31749 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MTOR P42345 1/20 0.43
SMG1 Q96Q15 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
SCHEMBL1032595 0.92 SCN10A (0.45) CNR2KDM4EKIF18ANPC1RAB9A
SCHEMBL1030625 0.86 BRAF (0.54) CNR2RAF1BRAFNPC1RAB9A
SCHEMBL1033836 0.86 CNR2 (0.47) CNR2RAB9A
SCHEMBL1937921 0.83 KDM4E (0.47) CNR2KDM4EGAAKIF18AAR
SCHEMBL13187522 0.83 KDM4E (0.49) CNR2KDM4EGAACLK2GSK3A
SCHEMBL14897766 0.81 GSK3A (0.58) CNR2KDM4EGAAKIF18AAR
SCHEMBL1031638 0.81 ALDH1A1 (0.47) CNR2
SCHEMBL12029252 0.80 CLK2 (0.47) KDM4EGAAKIF18ACLK2GSK3A
SCHEMBL17772311 0.80 CNR2 (0.46) CNR2KIF18ARAF1BRAFMTOR
SCHEMBL1035601 0.79 FGFR4 (0.41) CNR2

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 CNR2 1901/4885KDM4E 1791/4885GAA 766/4885

“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.