SCHEMBL14158929

SCHEMBL14158929

CN(c1cccc(-c2cn(C)c3nccc(NS(=O)(=O)c4ccn(C)n4)c23)c1)C1CCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 2/20 0.50
▸ SCN9A Q15858 1/20 0.34
▸ TP53 P04637 1/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ EIF2AK3 Q9NZJ5 8/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ PTK2 Q05397 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL14158572 0.99 CYBB (0.49) CYBBSCN9ATP53CCR2EIF2AK3
SCHEMBL14158751 0.89 CYBB (0.53) CYBBSCN9ACCR2EIF2AK3BRD4
SCHEMBL14242811 0.87 TEK (0.39) CYBBSCN9ATP53EIF2AK3BRD4
SCHEMBL14158560 0.83 CYBB (0.55) CYBBSCN9ACCR2EIF2AK3BRD4
SCHEMBL14158918 0.82 CYBB (0.55) CYBBCCR2EIF2AK3JAK2JAK3
SCHEMBL14158968 0.81 CYBB (0.53) CYBBCCR2EIF2AK3
SCHEMBL14158521 0.79 CYBB (0.56) CYBBJAK2JAK3PTK2
SCHEMBL14158715 0.79 CYBB (0.51) CYBBSCN9ACCR2EIF2AK3
SCHEMBL14158717 0.76 GLO1 (0.48) CYBBSCN9ACCR2ALDH1A1
SCHEMBL14158889 0.76 SCN9A (0.40) CYBBSCN9ABRD4

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 7 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-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 1/4885SCN9A 2852/4885TP53 4379/4885

“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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