SCHEMBL3273529

SCHEMBL3273529

Cc1cc2c(nc1CO)NC(=O)CS2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
EPHX2 P34913 1/20 0.41
HPGD P15428 4/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOB P27338 4/20 0.38
MAOA P21397 3/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.34
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 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
SCHEMBL5262842 0.84 PDE3B (0.48) PDE3BPDE3AEPHX2HPGDGLA
SCHEMBL5251784 0.83 PDE3B (0.46) PDE3BPDE3AEPHX2HPGDGLA
SCHEMBL3247601 0.83 PDE3B (0.46) PDE3BPDE3AEPHX2HPGDMAOB
SCHEMBL3250152 0.83 PDE3B (0.46) PDE3BPDE3AEPHX2HPGDMAOB
SCHEMBL15691801 0.80 PDE3B (0.62) PDE3BPDE3AEPHX2HPGDMAOB
SCHEMBL5266316 0.77 PDE3B (0.52) PDE3BPDE3AEPHX2HPGDGLA
SCHEMBL3272077 0.75 PDE3B (0.50) PDE3BPDE3AEPHX2HPGDGLA
SCHEMBL14341230 0.72 PDE3B (0.59) PDE3BPDE3AEPHX2HPGDMAOB
SCHEMBL1267822 0.72 PDE3B (0.46) PDE3BPDE3AEPHX2MAOBMAOA
SCHEMBL4337388 0.72 PDE3B (0.59) PDE3BPDE3AEPHX2HPGDMAOB

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 8 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
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 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 (3 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 PDE3B 3368/4885PDE3A 3344/4885EPHX2 2375/4885
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 PDE3B 2827/4885PDE3A 2483/4885EPHX2 3582/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH PDE3B 1922/4885PDE3A 1740/4885EPHX2 3679/4885

“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.