SCHEMBL1035704

SCHEMBL1035704

Cc1cnc(NC(=O)c2cccc3ccc(-c4cccc(N5CCOCC5)c4)nc23)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.51
ATR Q13535 1/20 0.46
HCAR1 Q9BXC0 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KIT P10721 1/20 0.43
DGAT1 O75907 1/20 0.43
MAPK1 P28482 1/20 0.41
CHEK1 O14757 1/20 0.41
AKT1 P31749 1/20 0.41
SYK P43405 1/20 0.41
ALDH1A1 P00352 1/20 0.41
F10 P00742 1/20 0.41
PRKCA P17252 1/20 0.40
PRKCQ Q04759 1/20 0.40
JAK2 O60674 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
SCHEMBL1032671 0.87 POLQ (0.47) POLQATRHCAR1SMN1; SMN2NPC1
SCHEMBL1204609 0.87 POLQ (0.53) POLQATRSMN1; SMN2NPC1RAB9A
SCHEMBL1076548 0.85 POLQ (0.47) POLQATRKDM4ESMN1; SMN2HPGD
SCHEMBL1035037 0.84 LMNA (0.53) POLQATRKDM4ESMN1; SMN2HPGD
SCHEMBL1031618 0.84 LRRK2 (0.60) ATRHCAR1KDM4ESMN1; SMN2HPGD
SCHEMBL12661961 0.83 POLQ (0.49) POLQATRHCAR1KDM4ESMN1; SMN2
SCHEMBL1076488 0.83 POLQ (0.44) POLQATRSMN1; SMN2HPGDHSD17B10
SCHEMBL1075258 0.82 RAB9A (0.47) POLQATRSMN1; SMN2HPGDHSD17B10
SCHEMBL1034084 0.82 ATR (0.45) POLQATRNPC1RAB9AKIT
SCHEMBL1032623 0.81 ATR (0.47) POLQATRNPC1RAB9AF10

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 1064/4885ATR 1057/4885HCAR1 2338/4885

“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.