SCHEMBL14158930

SCHEMBL14158930

CN1CCc2ccc(-c3cn(C)c4nccc(Br)c34)cc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 2/20 0.47
▸ NOTUM Q6P988 1/20 0.40
▸ EIF2AK3 Q9NZJ5 17/20 0.38
▸ EIF2AK4 Q9P2K8 1/20 0.36
▸ EIF2AK2 P19525 1/20 0.35
▸ EIF2AK1 Q9BQI3 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35

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
SCHEMBL14158938 0.87 CYBB (0.62) CYBBNOTUMRIPK1
SCHEMBL14242757 0.86 CYBB (0.47) CYBBNOTUMEIF2AK3EIF2AK2EIF2AK1
SCHEMBL14158597 0.86 CYBB (0.47) CYBBNOTUMEIF2AK3EIF2AK4EIF2AK2
SCHEMBL14158616 0.82 CYP11B1 (0.39) CYBBNOTUMEIF2AK3
SCHEMBL14158815 0.81 CYBB (0.46) CYBBNOTUMEIF2AK3EIF2AK4
SCHEMBL15753905 0.80 CYBB (0.62) CYBBNOTUMEIF2AK3
SCHEMBL14243353 0.80 EIF2AK3 (0.33) CYBBEIF2AK3RIPK1
SCHEMBL14158613 0.78 NOTUM (0.39) CYBBNOTUM
SCHEMBL14158638 0.77 CYBB (0.58) CYBBNOTUMEIF2AK3
SCHEMBL15754133 0.76 CYBB (0.67) CYBBEIF2AK3EIF2AK2

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 CYBB 1/4885NOTUM 2865/4885EIF2AK3 3658/4885

“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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