SCHEMBL14158648

SCHEMBL14158648

Cc1c(-c2cc3c(cc2F)CCN3C)c2c(NS(=O)(=O)c3ccn(C)n3)ccnc2n1C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 2/20 0.58
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ NMT1 P30419 2/20 0.33
▸ NLRP3 Q96P20 1/20 0.31
▸ CCR2 P41597 1/20 0.30
▸ TRIM24 O15164 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
SCHEMBL14158705 0.86 CYBB (0.69) CYBBPIK3C3NLRP3CCR2
SCHEMBL14158955 0.85 CYBB (0.64) CYBBPIK3C3NLRP3
SCHEMBL14158682 0.83 CYBB (0.77) CYBBPIK3C3NLRP3
SCHEMBL14158898 0.83 CYBB (0.60) CYBBPIK3C3NLRP3
SCHEMBL15753432 0.82 CYBB (0.44) CYBBPIK3C3NMT1CCR2
SCHEMBL14158922 0.77 CYBB (0.72) CYBBPIK3C3NMT1NLRP3
SCHEMBL14158699 0.76 CYBB (0.51) CYBBPIK3C3NLRP3CCR2
SCHEMBL14158539 0.75 CYBB (0.83) CYBBPIK3C3NLRP3CCR2
SCHEMBL15753495 0.75 CYBB (0.51) CYBBPIK3C3NLRP3
SCHEMBL14158776 0.74 CYBB (0.45) CYBBPIK3C3NMT1CCR2

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 1/4885PIK3C3 885/4885NMT1 776/4885

“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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