SCHEMBL14158733

SCHEMBL14158733

Cn1cnc(S(=O)(=O)Nc2ccnc3[nH]cc(-c4cccc(N5CCCC5)c4)c23)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.43
▸ ROCK1 Q13464 11/20 0.43
▸ CDC42BPB Q9Y5S2 11/20 0.43
▸ ROCK2 O75116 10/20 0.43
▸ GLO1 Q04760 1/20 0.43
▸ CDC42BPA Q5VT25 3/20 0.42
▸ LRRK2 Q5S007 5/20 0.40
▸ STK4 Q13043 2/20 0.39
▸ STK3 Q13188 2/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL14158643 0.86 ROCK1 (0.46) ROCK1CDC42BPBROCK2CDC42BPALRRK2
SCHEMBL14158681 0.85 GAA (0.46) GAAGLO1KDM4E
SCHEMBL14242800 0.84 LRRK2 (0.45) ROCK1CDC42BPBROCK2CDC42BPALRRK2
SCHEMBL14158563 0.81 STK4 (0.51) ROCK1CDC42BPBROCK2CDC42BPALRRK2
SCHEMBL14158779 0.80 LRRK2 (0.45) ROCK1CDC42BPBROCK2CDC42BPALRRK2
SCHEMBL14158722 0.78 LRRK2 (0.52) LRRK2STK4STK3KDM4E
SCHEMBL14157490 0.77 HTR6 (0.54) ROCK1CDC42BPB
SCHEMBL14242746 0.75 ROCK1 (0.48) ROCK1CDC42BPBROCK2CDC42BPALRRK2
SCHEMBL14158918 0.72 CYBB (0.55) ROCK1CDC42BPBROCK2
SCHEMBL14243205 0.72 ROCK1 (0.46) 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 GAA 546/4885ROCK1 852/4885CDC42BPB 313/4885

“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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