SCHEMBL1076266

SCHEMBL1076266

O=C(Nc1cccnn1)c1cccc2ccc(-c3cccc(N4CCOCC4)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.46
ATR Q13535 1/20 0.44
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
F10 P00742 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCQ Q04759 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
TRPV3 Q8NET8 1/20 0.41
CAMK2D Q13557 1/20 0.41
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
POLQ O75417 1/20 0.40
JAK2 O60674 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39

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 0.88 ATR (0.49) SIRT2ATRNPC1RAB9AF10
SCHEMBL1075258 0.86 RAB9A (0.47) ATRNPC1RAB9AF10TRPV3
SCHEMBL1035188 0.85 CHRNB2 (0.46) ATRNPC1RAB9AF10PRKCA
SCHEMBL1032623 0.85 ATR (0.47) SIRT2ATRNPC1RAB9AF10
SCHEMBL1077048 0.84 NPSR1 (0.53) ATRNPC1RAB9ACAMK2DJAK2
SCHEMBL1077393 0.84 ATR (0.52) SIRT2ATRNPC1RAB9AMAPK8
SCHEMBL1035334 0.83 POLQ (0.44) ATRNPC1RAB9AF10TRPV3
SCHEMBL1076488 0.83 POLQ (0.44) ATRNPC1RAB9AMAPK8MAPK10
SCHEMBL1033121 0.82 F10 (0.62) ATRNPC1RAB9AF10CAMK2D
SCHEMBL1036251 0.82 F10 (0.50) ATRNPC1RAB9AF10PRKCA

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 3/4885ATR 1057/4885NPC1 3386/4885

“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.