SCHEMBL1032167

SCHEMBL1032167

O=C(Nc1ccncc1)c1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ABL1 P00519 8/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
OPRM1 P35372 1/20 0.47
KCNH2 Q12809 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NAMPT P43490 1/20 0.45
MPL P40238 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KDR P35968 1/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RX1 P51575 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
SCHEMBL1033187 0.92 ABL1 (0.47) MEN1KMT2AABL1OPRM1KCNH2
SCHEMBL1030617 0.89 ABL1 (0.52) MEN1KMT2AABL1SIRT2OPRM1
SCHEMBL1032899 0.85 SIRT2 (0.51) ABL1SIRT2OPRM1KCNH2NPC1
SCHEMBL1034072 0.85 JAK2 (0.51) ABL1SIRT2ALDH1A1KDRMAPT
SCHEMBL1036232 0.84 SIRT2 (0.50) MEN1KMT2AABL1SIRT2NPC1
SCHEMBL1032586 0.83 SIRT2 (0.51) MEN1KMT2ASIRT2NPC1RAB9A
SCHEMBL1035301 0.82 ABL1 (0.47) MEN1KMT2AABL1OPRM1KCNH2
SCHEMBL1034552 0.82 PARP1 (0.48) MAPTSMN1; SMN2
SCHEMBL1032421 0.82 DHODH (0.58)
SCHEMBL1034242 0.81 ALDH1A1 (0.54) ABL1SIRT2NPC1RAB9AALDH1A1

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 MEN1 2841/4885KMT2A 997/4885ABL1 3468/4885

“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.