SCHEMBL1034347

SCHEMBL1034347

O=C(Nc1ncc(CN2CCCC2)s1)c1cccc2ccc(-c3cccnc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
KIT P10721 1/20 0.45
FLT3 P36888 1/20 0.45
OGA O60502 9/20 0.42
ROCK2 O75116 2/20 0.42
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40

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
SCHEMBL1076683 0.93 ROCK2 (0.48) SMN1; SMN2KITFLT3OGAROCK2
SCHEMBL1034576 0.87 SMN1; SMN2 (0.43) SMN1; SMN2OGA
SCHEMBL1035299 0.87 SMN1; SMN2 (0.43) SMN1; SMN2OGAMAPTMEN1KMT2A
SCHEMBL1034429 0.81 DYRK1A (0.42) SMN1; SMN2GSK3BDYRK1AALDH1A1
SCHEMBL1075405 0.80 SCD (0.48) SMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL1031321 0.80 ALDH1A1 (0.52) SMN1; SMN2MAPTNPC1RAB9AKDM4E
SCHEMBL1075338 0.78 WNT3A (0.46) SMN1; SMN2OGADYRK1A
SCHEMBL1075085 0.78 LMNA (0.49) SMN1; SMN2KITROCK2GSK3BDYRK1A
SCHEMBL1033853 0.76 NPC1 (0.52) SMN1; SMN2MAPTNPC1RAB9AKDM4E
SCHEMBL1073091 0.75 DYRK1A (0.45) ROCK2GSK3BDYRK1A

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 SMN1; SMN2 2735/4885KIT 2952/4885FLT3 374/4885

“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.