SCHEMBL1185012

SCHEMBL1185012

[CH2]CC(=O)Nc1ccccn1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.76
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
PKM P14618 2/20 0.63
HDAC3 O15379 2/20 0.59
HDAC4 P56524 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
CYP1A2 P05177 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58

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
SCHEMBL6245092 0.86 GAA (1.00) GAANPC1RAB9APKMHDAC3
SCHEMBL7006640 0.83 GAA (0.79) GAANPC1RAB9APKMHDAC3
SCHEMBL4491035 0.83 GAA (0.79) GAANPC1RAB9APKMHDAC3
SCHEMBL13968413 0.82 GAA (0.77) GAANPC1RAB9APKMHDAC3
SCHEMBL318557 0.81 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL22281652 0.81 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL8285860 0.81 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL12426307 0.81 GAA (0.82) GAANPC1RAB9APKMHDAC3
SCHEMBL1430541 0.81 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL30440440 0.81 GAA (0.76) GAANPC1RAB9APKMHDAC3

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063221-B2 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-22 US claimed
EP-2013182-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2009-01-14 EP claimed
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US claimed
WO-2007106537-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS ACTIVX BIOSCIENCES, INC. (US) 2007-09-20 WO claimed
EP-1954674-B1 NEW N-PHENETHYLCARBOXAMIDE DERIVATIVES BAYER IP GMBH (DE) 2016-03-16 EP disclosed
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF DAIICHI SANKYO CO LTD (JP) 2013-11-07 US disclosed
EP-2013182-B1 AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2013-09-04 EP disclosed
EP-2463268-B1 4-(Aminomethyl)benzoic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds DAIICHI SANKYO CO LTD (JP) 2013-08-28 EP disclosed
US-8507714-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-13 US disclosed
EP-2383271-B1 Aminoquinolones as GSK-3 Inhibitors KYORIN SEIYAKU KK (JP) 2013-07-10 EP disclosed
EP-1820798-B1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF DAIICHI SANKYO CO LTD (JP) 2012-08-22 EP disclosed
EP-2463268-A1 Aminomethyl-substituted aromatic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds Daiichi Sankyo Company, Limited (JP) 2012-06-13 EP disclosed
CN-1038511-C Imidazopyridine MERCK PATENT GMBH (DE) 1998-05-27 CN disclosed
US-5684015-A ANGIOTENSIN ANTAGONIST AS HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-11-04 US disclosed
EP-0702013-A2 Imidazopyridines MERCK PATENT GmbH (DE) 1996-03-20 EP disclosed
US-5476857-A Imidazopyridines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-19 US disclosed
US-5438063-A Hypotensive agents, cardiac insufficiency, increased intraocular pressure, and CNS disorders MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-08-01 US disclosed
EP-0657454-A1 Imidazopyridazines being angiotensin II antagonists MERCK PATENT GmbH (DE) 1995-06-14 EP disclosed
EP-0628556-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1994-12-14 EP disclosed
EP-0574846-A2 Imidazopyridines as angiotensin II antagonistes MERCK PATENT GmbH (DE) 1993-12-22 EP 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 (2 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-20070254866-A1 Aminoquinolones as GSK-3 inhibitors GSK3B, GSK3A, GSKIP GAA 2384/4885NPC1 1146/4885RAB9A 2351/4885
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI GAA 22/4885NPC1 175/4885RAB9A 809/4885

“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.