SCHEMBL1034084

SCHEMBL1034084

Cc1cc(NC(=O)c2cccc3ccc(-c4cccc(N5CCOCC5)c4)nc23)sn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.45
POLQ O75417 1/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
AKT1 P31749 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
KIT P10721 1/20 0.40
GAK O14976 1/20 0.40
PKM P14618 1/20 0.40
DGAT1 O75907 1/20 0.40
SETD2 Q9BYW2 1/20 0.40
BRAF P15056 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCQ Q04759 1/20 0.39
MAPK14 Q16539 1/20 0.39
JAK2 O60674 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
SCHEMBL1075258 0.85 RAB9A (0.47) ATRPOLQNPC1RAB9AMAPT
SCHEMBL1076548 0.84 POLQ (0.47) ATRPOLQNPC1RAB9AMAPT
SCHEMBL1035334 0.83 POLQ (0.44) ATRPOLQNPC1RAB9AMAPT
SCHEMBL1032671 0.83 POLQ (0.47) ATRPOLQNPC1RAB9AAKT1
SCHEMBL1204609 0.83 POLQ (0.53) ATRPOLQNPC1RAB9AAKT1
SCHEMBL1035704 0.82 POLQ (0.51) ATRPOLQNPC1RAB9AAKT1
SCHEMBL1076409 0.82 NPC1 (0.46) ATRPOLQNPC1RAB9AMAPT
SCHEMBL1077048 0.81 NPSR1 (0.53) ATRNPC1RAB9AMAPTDGAT1
SCHEMBL1076488 0.80 POLQ (0.44) ATRPOLQNPC1RAB9AMAPT
SCHEMBL1035037 0.80 LMNA (0.53) ATRPOLQNPC1RAB9AMAPT

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 1057/4885POLQ 1064/4885NPC1 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.