SCHEMBL1031026

SCHEMBL1031026

O=C(Nc1ccccn1)c1cccc2ccc(-c3cccnc3)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.57
CHRNB2 P17787 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRNA4 P43681 1/20 0.56
POLB P06746 2/20 0.56
GLA P06280 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL1034164 0.89 SIRT2 (0.54) ATRPOLBGLANPSR1NPC1
SCHEMBL1036245 0.87 ATR (0.58) ATRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1035668 0.86 CYP1A2 (0.55) ATRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1031251 0.86 SIRT2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4POLB
SCHEMBL1034842 0.86 SIRT2 (0.51) ATRPOLBGLANPSR1NPC1
SCHEMBL1035333 0.85 SMN1; SMN2 (0.57) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL1030075 0.85 FGFR4 (0.48) POLBNPC1RAB9ACYP1A2CYP2D6
SCHEMBL1033357 0.85 KMT2A (0.53) KMT2AALDH1A1
SCHEMBL1031934 0.83 EGLN1 (0.60) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL1033871 0.83 FGFR4 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4NPSR1

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 1057/4885CHRNB2 2379/4885CHRNB4 3068/4885

“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.