SCHEMBL1032599

SCHEMBL1032599

Cc1csc(NC(=O)c2cccc3cnc(-c4cccc(N5CCOCC5)c4)nc23)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.50
DGAT1 O75907 1/20 0.48
PHGDH O43175 1/20 0.46
POLB P06746 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RCE1 Q9Y256 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KIT P10721 1/20 0.42
ATR Q13535 1/20 0.42
F10 P00742 1/20 0.42
PKM P14618 1/20 0.42
MAPK14 Q16539 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
SCHEMBL1030152 0.86 LMNA (0.52) POLQDGAT1NPC1RAB9AALDH1A1
SCHEMBL1076548 0.86 POLQ (0.47) POLQPHGDHPOLBNPC1RAB9A
SCHEMBL1034592 0.81 F10 (0.49) POLQDGAT1NPC1RAB9AGAA
SCHEMBL1035423 0.80 SMN1; SMN2 (0.50) DGAT1NPC1RAB9ATP53KIT
SCHEMBL1034401 0.80 KMO (0.52) DGAT1ATRF10PKM
SCHEMBL1034583 0.79 CYP1A2 (0.50) NPC1RAB9AALDH1A1KDM4EHTT
SCHEMBL1033586 0.79 KDM4E (0.56) NPC1RAB9AALDH1A1KDM4EHTT
SCHEMBL1035704 0.76 POLQ (0.51) POLQDGAT1NPC1RAB9AALDH1A1
SCHEMBL1035037 0.73 LMNA (0.53) POLQPHGDHNPC1RAB9AALDH1A1
SCHEMBL1204609 0.73 POLQ (0.53) POLQNPC1RAB9AALDH1A1L3MBTL1

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 POLQ 1064/4885DGAT1 1132/4885PHGDH 1559/4885

“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.