SCHEMBL14158659

SCHEMBL14158659

CN1CCOc2ncc(-c3cn(C)c4nccc(NS(=O)(=O)c5ccccc5)c34)cc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 2/20 0.47
▸ EIF2AK3 Q9NZJ5 2/20 0.45
▸ PTGES2 Q9H7Z7 1/20 0.40
▸ PIK3CD O00329 8/20 0.37
▸ PIK3CA P42336 7/20 0.37
▸ PIK3CB P42338 6/20 0.37
▸ PIK3CG P48736 6/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ SLC40A1 Q9NP59 2/20 0.36
▸ MTOR P42345 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ALPL P05186 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CREBBP Q92793 1/20 0.34

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
SCHEMBL14158632 0.88 CYBB (0.50) CYBBEIF2AK3PTGES2PIK3CDPIK3R1
SCHEMBL14158777 0.86 EIF2AK3 (0.45) CYBBEIF2AK3PTGES2PIK3CDPIK3CA
SCHEMBL14158532 0.83 CYBB (0.49) CYBBEIF2AK3PTGES2PIK3CDPIK3CA
SCHEMBL15754133 0.81 CYBB (0.67) CYBBEIF2AK3PIK3CDPIK3CASLC40A1
SCHEMBL14158981 0.79 CYBB (0.57) CYBBEIF2AK3SLC40A1
SCHEMBL14242804 0.78 EIF2AK3 (0.46) CYBBEIF2AK3PTGES2SLC40A1
SCHEMBL14158928 0.78 CYBB (0.49) CYBBEIF2AK3PIK3CDPIK3CBPIK3CG
SCHEMBL14242725 0.77 CYBB (0.48) CYBBEIF2AK3PTGES2PIK3CASLC40A1
SCHEMBL14158769 0.76 PIK3CD (0.43) CYBBPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL14242817 0.76 CYBB (0.45) CYBBEIF2AK3PTGES2SLC40A1HTT

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 1/4885EIF2AK3 3658/4885PTGES2 169/4885

“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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