SCHEMBL1034592

SCHEMBL1034592

O=C(Nc1ccccn1)c1cccc2cnc(-c3cccc(N4CCOCC4)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.49
DGAT1 O75907 1/20 0.49
ATR Q13535 1/20 0.46
GAA P10253 1/20 0.46
PIK3CA P42336 2/20 0.44
TSHR P16473 1/20 0.44
SCN9A Q15858 1/20 0.44
FGFR1 P11362 1/20 0.43
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
MAPK10 P53779 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCQ Q04759 1/20 0.42
POLQ O75417 1/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL1077063 0.86 ATR (0.49) F10ATRGAAPIK3CATSHR
SCHEMBL1035423 0.85 SMN1; SMN2 (0.50) DGAT1ATRPIK3CAHDAC3HDAC1
SCHEMBL1030152 0.84 LMNA (0.52) F10DGAT1ATRSIRT2POLQ
SCHEMBL1034401 0.83 KMO (0.52) F10DGAT1ATRPIK3CAHDAC3
SCHEMBL12673383 0.81 PARP1 (0.49) F10ATRGAAPIK3CATSHR
SCHEMBL4547987 0.81 F10 (0.45) F10DGAT1ATRGAAPIK3CA
SCHEMBL1032599 0.81 POLQ (0.50) F10DGAT1ATRGAAPOLQ
SCHEMBL12753389 0.81 F10 (0.46) F10DGAT1ATRGAAPIK3CA
SCHEMBL12029128 0.79 RAF1 (0.47) F10DGAT1ATRGAAPIK3CA
SCHEMBL1032623 0.78 ATR (0.47) F10ATRFGFR1BRAFSIRT2

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 F10 1851/4885DGAT1 1132/4885ATR 1057/4885

“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.