SCHEMBL2955854

SCHEMBL2955854

COc1ccc2nccc(N3CCN(CCN)CC3=O)c2n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.38
CYP8B1 Q9UNU6 1/20 0.35
CCR8 P51685 1/20 0.34
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33
NTRK2 Q16620 1/20 0.33

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
SCHEMBL2946390 0.84 KCNH2 (0.40) KCNH2CYP8B1
SCHEMBL4069340 0.82 KCNH2 (0.42) KCNH2
SCHEMBL13238486 0.81 DRD2 (0.46) KCNH2CYP8B1
SCHEMBL2955102 0.80 CYP8B1 (0.39) KCNH2CYP8B1
Hydrochloric Acid SCHEMBL4069318 0.78 EHMT2 (0.46) KCNH2CYP8B1
SCHEMBL5548608 0.77 CYP8B1 (0.37) KCNH2CYP8B1
SCHEMBL2951476 0.76 KCNH2 (0.51) KCNH2
SCHEMBL1223922 0.75 NCF1 (0.40) KCNH2CYP8B1CCR8
SCHEMBL1224706 0.75 CYP8B1 (0.44) CYP8B1
SCHEMBL2949221 0.75 KCNH2 (0.52) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759340-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-7759340-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-7759340-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-20100179143-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-7648984-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-01-19 US disclosed
US-7605169-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-10-20 US disclosed
US-7592334-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-09-22 US disclosed
US-20090181955-A1 Antibacterial Agents MILLER WILLIAM HENRY 2009-07-16 US disclosed
US-20090181955-A1 Antibacterial Agents MILLER WILLIAM HENRY 2009-07-16 US disclosed
US-20080139539-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-06-12 US disclosed
US-20080139539-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-06-12 US disclosed
US-20080009483-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-01-10 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-1846411-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-10-24 EP disclosed
US-20070203127-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-08-30 US disclosed
US-20070161627-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2007-07-12 US disclosed
US-20060189601-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
WO-2006081289-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-08-03 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 (9 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 3440/4885CYP8B1 252/4885CCR8 2250/4885
US-20080139539-A1 Antibacterial Agents NQO2, NQO1, NRDC KCNH2 3002/4885CYP8B1 2143/4885CCR8 4401/4885
US-20060189601-A1 Antibacterial agents NQO2, NRDC, IFNG KCNH2 3365/4885CYP8B1 1990/4885CCR8 4418/4885
US-20100179143-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS INPP5D, PI4KA, PTEN KCNH2 1741/4885CYP8B1 3751/4885CCR8 4690/4885
US-20090181955-A1 Antibacterial Agents NQO2, NQO1, NRDC KCNH2 3002/4885CYP8B1 2143/4885CCR8 4401/4885
US-20080009483-A1 Antibacterial Agents NRDC, NISCH, NAPRT KCNH2 1712/4885CYP8B1 1769/4885CCR8 2918/4885
US-20070161627-A1 Antibacterial agents NQO2, NQO1, NDUFV2 KCNH2 2586/4885CYP8B1 965/4885CCR8 3855/4885
US-20070203127-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 KCNH2 2586/4885CYP8B1 965/4885CCR8 3855/4885
US-20070254872-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 KCNH2 2586/4885CYP8B1 965/4885CCR8 3855/4885

“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.