SCHEMBL14158946

SCHEMBL14158946

CN1CCc2ccc(-c3c[nH]c4nccc(NS(=O)(=O)c5ccn(C)n5)c34)cc21

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 2/20 0.70
▸ ROCK1 Q13464 13/20 0.39
▸ CDC42BPB Q9Y5S2 13/20 0.39
▸ ROCK2 O75116 12/20 0.39
▸ NOTUM Q6P988 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ CDC42BPA Q5VT25 4/20 0.34
▸ MAP4K1 Q92918 2/20 0.33
▸ NLRP3 Q96P20 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
SCHEMBL14158657 0.87 CYBB (0.58) CYBBNOTUMMAP4K1NLRP3
SCHEMBL14158539 0.84 CYBB (0.83) CYBBNOTUMNLRP3
SCHEMBL14158858 0.84 CYBB (0.64) CYBBNOTUMNLRP3
SCHEMBL14158596 0.82 CYBB (1.00) CYBBNOTUMNLRP3
SCHEMBL14158705 0.82 CYBB (0.69) CYBBNOTUMNLRP3
SCHEMBL14158872 0.82 CYBB (0.78) CYBBNOTUMNLRP3
SCHEMBL14242798 0.80 CYBB (0.75) CYBBNLRP3
SCHEMBL14158922 0.79 CYBB (0.72) CYBBNOTUMNLRP3
SCHEMBL14158643 0.79 ROCK1 (0.46) CYBBROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL14243194 0.79 CYBB (0.74) CYBBNLRP3

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 9 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
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 CYBB 1/4885ROCK1 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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