SCHEMBL3274647

SCHEMBL3274647

COc1ccc2ncc(C#N)c(CCN3CC[C@@H](CN)C3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.57
KCNH2 Q12809 7/20 0.55
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
SRC P12931 4/20 0.42
ABL1 P00519 2/20 0.42
ABL2 P42684 2/20 0.42
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.39
MAP2K1 Q02750 1/20 0.39
CHRM4 P08173 1/20 0.38

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
SCHEMBL3274709 0.86 KCNH2 (0.56) SLC2A1KCNH2
SCHEMBL3274631 0.81 KCNH2 (0.57) SLC2A1KCNH2
SCHEMBL3687412 0.80 KCNH2 (0.44) SLC2A1KCNH2
SCHEMBL3272665 0.79 SLC2A1 (0.51) SLC2A1KCNH2ABCB1ABCC1ABCG2
SCHEMBL3273171 0.78 KCNH2 (0.79) SLC2A1KCNH2ABCB1ABCC1ABCG2
SCHEMBL16465004 0.77 SLC2A1 (0.51) SLC2A1KCNH2ABCB1ABCC1ABCG2
SCHEMBL17140278 0.77 SLC2A1 (0.54) SLC2A1KCNH2ABCB1ABCC1ABCG2
SCHEMBL16465440 0.76 SLC2A1 (0.77) SLC2A1KCNH2
SCHEMBL16463682 0.76 SLC2A1 (0.74) SLC2A1KCNH2CHRM4
SCHEMBL3273609 0.76 KCNH2 (0.59) SLC2A1KCNH2

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 5 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
EP-1796466-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-09-02 EP 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-1796466-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-06-20 EP 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 (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 SLC2A1 4727/4885KCNH2 3440/4885ABCB1 2888/4885

“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.