SCHEMBL2952668

SCHEMBL2952668

COc1ccc2ncc(NC(=O)OC(C)(C)C)c(Br)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MAP4K4 O95819 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MTNR1B P49286 4/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGDS O60760 1/20 0.40
DYRK1A Q13627 2/20 0.39
ALDH1A1 P00352 1/20 0.39
F2 P00734 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
DDR2 Q16832 1/20 0.39
ROS1 P08922 1/20 0.39
PIM1 P11309 1/20 0.39
PHKG2 P15735 1/20 0.39
CDK2 P24941 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
MAPKAPK2 P49137 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
SCHEMBL5747725 0.86 MALT1 (0.46) LMNAMAP4K4KDM4EMTNR1BMAPK1
SCHEMBL5256374 0.84 LMNA (0.49) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL14358023 0.81 LCK (0.38) NR1I2
SCHEMBL14358247 0.80 CYP17A1 (0.36) ALDH1A1
SCHEMBL14358421 0.80 AAK1 (0.39) EGFR
SCHEMBL27700692 0.79 HPGDS (0.42) MAP4K4HPGDSDYRK1AROS1PIM1
SCHEMBL24253966 0.77 POLB (0.56) KDM4ENPSR1ALDH1A1NR1I2
SCHEMBL15982086 0.77 EGFR (0.38) MAP4K4KDM4EMTNR1BMAPKAPK2MTNR1A
SCHEMBL21494399 0.76 MALT1 (0.50) MAP4K4MAPK1NPSR1KDRAURKB
SCHEMBL1007579 0.76 KMT2A (0.45) KDM4EMAPK1NPSR1ALDH1A1HPGD

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 15 patents. 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-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
EP-1796466-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
US-20090181955-A1 Antibacterial Agents MILLER WILLIAM HENRY 2009-07-16 US disclosed
US-7511035-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2009-03-31 US disclosed
US-20080139539-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2008-06-12 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
EP-1796466-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-06-20 EP disclosed
EP-1773831-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
WO-2007016610-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
WO-2006081289-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-08-03 WO disclosed
WO-2006014580-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-09 WO disclosed
WO-2006002047-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-05 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 (4 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 LMNA 2029/4885MAP4K4 754/4885KDM4E 1115/4885
US-20080139539-A1 Antibacterial Agents NQO2, NQO1, NRDC LMNA 2827/4885MAP4K4 1315/4885KDM4E 4536/4885
US-20090181955-A1 Antibacterial Agents NQO2, NQO1, NRDC LMNA 2827/4885MAP4K4 1315/4885KDM4E 4536/4885
US-20070254872-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 LMNA 2018/4885MAP4K4 813/4885KDM4E 4436/4885

“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.