SCHEMBL3273387

SCHEMBL3273387

O=C1COc2cc(Cl)c(CNC[C@H]3CCNC3)nc2N1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
PRKCQ Q04759 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
MGLL Q99685 1/20 0.36
SMYD3 Q9H7B4 2/20 0.35
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL13349124 0.81 KCNH2 (0.43) KCNH2
SCHEMBL3273209 0.80 KCNH2 (0.43) KCNH2PRKCQ
SCHEMBL4305540 0.75 PBK (0.35) MGLLSMYD3BRD4ATAD2
SCHEMBL13356483 0.72 KCNH2 (0.38) KCNH2MGLLMAPTTDP1L3MBTL1
SCHEMBL12046578 0.70 KCNH2 (0.42) KCNH2MGLL
SCHEMBL12046834 0.70 KCNH2 (0.42) KCNH2MGLL
SCHEMBL4297920 0.69 KCNH2 (0.40) KCNH2MGLL
Hydrochloric Acid SCHEMBL16469458 0.68 KCNH2 (0.56) KCNH2
Hydrochloric Acid SCHEMBL16469463 0.68 KCNH2 (0.56) KCNH2
SCHEMBL2768693 0.66 NR3C2 (0.38) KCNH2MGLLMAPTTDP1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 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

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-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 3440/4885PRKCQ 2936/4885PRMT5 1355/4885

“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.