SCHEMBL14158616

SCHEMBL14158616

CN1CCOc2ccc(-c3cn(C)c4nccc(Br)c34)cc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ EIF2AK3 Q9NZJ5 4/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ PDE3B Q13370 4/20 0.34
▸ PDE3A Q14432 4/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CYBB P04839 2/20 0.33
▸ PFKFB3 Q16875 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ PIK3CD O00329 2/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ PKM P14618 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ PKLR P30613 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31

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
SCHEMBL14158930 0.82 CYBB (0.47) EIF2AK3NOTUMCYBB
SCHEMBL14158632 0.77 CYBB (0.50) EIF2AK3CYBBPIK3CDPKM
SCHEMBL15753941 0.75 CYBB (0.64) CYP11B1CYP11B2EIF2AK3PDE3BPDE3A
SCHEMBL14243353 0.73 EIF2AK3 (0.33) EIF2AK3CYBB
SCHEMBL14158532 0.72 CYBB (0.49) EIF2AK3CYBBPIK3CDPIK3CGPKM
SCHEMBL14158938 0.70 CYBB (0.62) NOTUMCYBBPIK3CDPIK3CGPIK3CA
SCHEMBL15345191 0.70 CCR1 (0.47) CYP11B1CYP11B2NOTUMPDE3BPDE3A
SCHEMBL14242725 0.69 CYBB (0.48) CYP11B1CYP11B2EIF2AK3BRD4CYBB
SCHEMBL18152740 0.68 BRD4 (0.64) BRD4
SCHEMBL14158597 0.68 CYBB (0.47) EIF2AK3NOTUMCYBB

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 CYP11B1 44/4885CYP11B2 28/4885EIF2AK3 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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