SCHEMBL14158938

SCHEMBL14158938

CC(C)n1cc(-c2ccc3c(c2)N(C)CC3)c2c(Br)ccnc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 2/20 0.62
▸ NOTUM Q6P988 1/20 0.37
▸ LRRK2 Q5S007 2/20 0.37
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ KDR P35968 8/20 0.33
▸ TEK Q02763 8/20 0.33
▸ LCK P06239 5/20 0.33
▸ SRC P12931 1/20 0.33
▸ BMPR1B O00238 2/20 0.32
▸ BMPR1A P36894 2/20 0.32
▸ ACVRL1 P37023 2/20 0.32
▸ ACVR1 Q04771 2/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ WDR5 P61964 1/20 0.31
▸ SYK P43405 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
SCHEMBL14158930 0.87 CYBB (0.47) CYBBNOTUMRIPK1
SCHEMBL14158730 0.83 CYBB (0.45) CYBBLRRK2RIPK1
SCHEMBL14158743 0.77 CYBB (1.00) CYBBNOTUMLRRK2PIK3CABMPR1B
SCHEMBL14158596 0.77 CYBB (1.00) CYBBNOTUMLRRK2RIPK1
SCHEMBL14158598 0.77 CYBB (0.70) CYBBNOTUMLRRK2PIK3CARIPK1
SCHEMBL14158608 0.75 CYBB (0.69) CYBBNOTUMLRRK2PIK3CARIPK1
SCHEMBL14158613 0.75 NOTUM (0.39) CYBBNOTUMWDR5
SCHEMBL15754335 0.74 CYBB (0.84) CYBBLRRK2RIPK1BMPR1BBMPR1A
SCHEMBL14242757 0.73 CYBB (0.47) CYBBNOTUMRIPK1
SCHEMBL14158597 0.73 CYBB (0.47) CYBBNOTUMRIPK1

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 1/4885NOTUM 2865/4885LRRK2 2090/4885

“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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