SCHEMBL14158776

SCHEMBL14158776

Cc1c(-c2cccc(N3CCCC3)c2)c2c(NS(=O)(=O)c3ccn(C)n3)ccnc2n1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 1/20 0.45
▸ NMT1 P30419 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ TEK Q02763 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ CAMK2D Q13557 1/20 0.33
▸ KIT P10721 2/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ JAK2 O60674 4/20 0.32
▸ JAK3 P52333 4/20 0.32
▸ PTK2 Q05397 4/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ PGAM1 P18669 3/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ CDC42BPB Q9Y5S2 1/20 0.32

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
SCHEMBL14158506 0.86 CYBB (0.41) CYBBNMT1ABL1BCRCCR2
SCHEMBL15753432 0.86 CYBB (0.44) CYBBNMT1CCR2PIK3C3ADORA2A
SCHEMBL14158918 0.84 CYBB (0.55) CYBBNMT1ABL1BCRCCR2
SCHEMBL14158643 0.82 ROCK1 (0.46) CYBBROCK2ROCK1CDC42BPB
SCHEMBL14158736 0.82 CYBB (0.67) CYBBNMT1ABL1BCRCCR2
SCHEMBL14158798 0.81 CYBB (0.52) CYBBNMT1ABL1BCRCCR2
SCHEMBL14158590 0.81 CYBB (0.68) CYBBNMT1ABL1BCRCCR2
SCHEMBL14158705 0.80 CYBB (0.69) CYBBCCR2PIK3C3
SCHEMBL14158521 0.78 CYBB (0.56) CYBBKITJAK2JAK3PTK2
SCHEMBL14158967 0.77 GHSR (0.38) ABL1BCRJAK2PGAM1

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 1/4885NMT1 776/4885ABL1 243/4885

“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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