SCHEMBL3244345

SCHEMBL3244345

COc1ccc2nccc([C@@H](O)CBr)c2n1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.50
SLC2A1 P11166 4/20 0.42
EGFR P00533 1/20 0.35

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
SCHEMBL5263979 0.87 KCNH2 (0.48) KCNH2SLC2A1
SCHEMBL3831404 0.84 KCNH2 (0.44) KCNH2SLC2A1
SCHEMBL591795 0.84 KCNH2 (0.48) KCNH2SLC2A1EGFR
SCHEMBL592025 0.83 SLC2A1 (0.47) KCNH2SLC2A1
SCHEMBL591064 0.83 SLC2A1 (0.47) KCNH2SLC2A1
SCHEMBL591065 0.83 SLC2A1 (0.47) KCNH2SLC2A1
SCHEMBL5253770 0.82 KCNH2 (0.44) KCNH2SLC2A1EGFR
SCHEMBL590211 0.82 KCNH2 (0.47) KCNH2SLC2A1
SCHEMBL590212 0.82 KCNH2 (0.47) KCNH2SLC2A1
SCHEMBL1712489 0.80 KCNH2 (0.42) KCNH2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181996-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2010-05-05 EP disclosed
US-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US disclosed
US-7491714-B2 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents GLAXO GROUP LIMITED (GB) 2009-02-17 US disclosed
EP-1567520-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2008-10-15 EP disclosed
US-7312212-B2 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2007-12-25 US disclosed
US-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli SMITHKLINE BEECHAM CORPORATION 2007-12-13 US disclosed
US-20070254872-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
EP-1359908-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2007-08-22 EP disclosed
US-20070161627-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2007-07-12 US disclosed
US-20040053928-A1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-18 US disclosed
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 US disclosed
EP-1359908-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-11-12 EP disclosed
WO-2003064421-A1 AMINOPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-07 WO disclosed
WO-2003064431-A2 AMINOPIPERIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2003-08-07 WO disclosed
EP-1320529-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-25 EP disclosed
EP-1305308-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-05-02 EP disclosed
WO-2002056882-A1 QUINOLINES AND NITROGENATED DERIVAIVE THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-25 WO disclosed
WO-2002024684-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-28 WO disclosed
WO-2002008224-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 2002-01-31 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 (5 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-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli NPM1, TOP1, HMGB1 KCNH2 3440/4885SLC2A1 4727/4885EGFR 2720/4885
US-20040053928-A1 Quinoline derivatives as antibacterials AAAS, QDPR, QARS1 KCNH2 1839/4885SLC2A1 3990/4885EGFR 4635/4885
US-20070161627-A1 Antibacterial agents NQO2, NQO1, NDUFV2 KCNH2 2586/4885SLC2A1 4018/4885EGFR 4632/4885
US-20070254872-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 KCNH2 2586/4885SLC2A1 4018/4885EGFR 4632/4885
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity AZI2, AMPD2, AMPD1 KCNH2 1010/4885SLC2A1 3639/4885EGFR 4688/4885

“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.