SCHEMBL14158643

SCHEMBL14158643

Cn1ccc(S(=O)(=O)Nc2ccnc3[nH]cc(-c4cccc(N5CCCC5)c4)c23)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 12/20 0.46
▸ CDC42BPB Q9Y5S2 12/20 0.46
▸ ROCK2 O75116 11/20 0.46
▸ CYBB P04839 1/20 0.45
▸ CDC42BPA Q5VT25 3/20 0.42
▸ LRRK2 Q5S007 7/20 0.39
▸ STK4 Q13043 2/20 0.39
▸ STK3 Q13188 2/20 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
SCHEMBL14158733 0.86 GAA (0.43) ROCK1CDC42BPBROCK2CDC42BPALRRK2
SCHEMBL14158918 0.84 CYBB (0.55) ROCK1CDC42BPBROCK2CYBB
SCHEMBL14158506 0.84 CYBB (0.41) ROCK1CDC42BPBROCK2CYBBLRRK2
SCHEMBL14242800 0.84 LRRK2 (0.45) ROCK1CDC42BPBROCK2CDC42BPALRRK2
SCHEMBL14158736 0.82 CYBB (0.67) ROCK1CDC42BPBROCK2CYBB
SCHEMBL14158776 0.82 CYBB (0.45) ROCK1CDC42BPBROCK2CYBB
SCHEMBL14158798 0.82 CYBB (0.52) ROCK1CDC42BPBROCK2CYBB
SCHEMBL14158590 0.81 CYBB (0.68) CYBB
SCHEMBL14158563 0.81 STK4 (0.51) ROCK1CDC42BPBROCK2CDC42BPALRRK2
SCHEMBL14158779 0.80 LRRK2 (0.45) ROCK1CDC42BPBROCK2CDC42BPALRRK2

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-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
EP-2717694-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Limited (GB) 2014-04-16 — — EP disclosed
WO-2012170752-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-12-13 — — 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-20140155375-A1 NOVEL COMPOUNDS CYBB, NOX1, NOX4 ROCK1 852/4885CDC42BPB 313/4885ROCK2 465/4885

“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.

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