SCHEMBL1077063

SCHEMBL1077063

O=C(Nc1ccccn1)c1cccc2ccc(-c3cccc(N4CCOCC4)c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.49
▸ SCN9A Q15858 2/20 0.46
▸ F10 P00742 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA3 P32297 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ PRKCA P17252 1/20 0.44
▸ PRKCQ Q04759 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ CAMK2D Q13557 1/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ MAPK10 P53779 2/20 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
SCHEMBL1032623 0.89 ATR (0.47) ATRF10SIRT2PRKCAPRKCQ
SCHEMBL1035188 0.89 CHRNB2 (0.46) ATRF10CHRNB2CHRNB4CHRNA3
SCHEMBL1076266 0.88 SIRT2 (0.46) ATRF10SIRT2PRKCAPRKCQ
SCHEMBL1075258 0.87 RAB9A (0.47) ATRF10CHRNB2CHRNB4CHRNA3
SCHEMBL1036251 0.87 F10 (0.50) ATRF10PRKCAPRKCQNPC1
SCHEMBL1033121 0.87 F10 (0.62) ATRF10NPC1RAB9ACAMK2D
SCHEMBL1034592 0.86 F10 (0.49) ATRSCN9AF10SIRT2CHRNB2
SCHEMBL1077048 0.85 NPSR1 (0.53) ATRPIK3CANPC1RAB9ACAMK2D
SCHEMBL1035334 0.84 POLQ (0.44) ATRF10NPC1RAB9A
SCHEMBL1035037 0.84 LMNA (0.53) ATRSIRT2PRKCAPRKCQNPC1

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 ATR 1057/4885SCN9A 3526/4885F10 1851/4885

“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.

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