SCHEMBL14158736

SCHEMBL14158736

CC(C)n1cc(-c2cccc(N3CCCC3)c2)c2c(NS(=O)(=O)c3ccn(C)n3)ccnc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 2/20 0.67
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ PGAM1 P18669 3/20 0.33
▸ CCR2 P41597 1/20 0.32
▸ EIF2AK3 Q9NZJ5 1/20 0.32
▸ JMJD6 Q6NYC1 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ BCR P11274 1/20 0.32
▸ NMT1 P30419 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ PTK2 Q05397 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
SCHEMBL14158590 0.99 CYBB (0.68) CYBBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14158918 0.91 CYBB (0.55) CYBBPGAM1CCR2EIF2AK3JMJD6
SCHEMBL14158798 0.88 CYBB (0.52) CYBBPGAM1CCR2EIF2AK3JMJD6
SCHEMBL14158891 0.86 CYBB (0.50) CYBBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14242752 0.86 CYBB (0.60) CYBBPGAM1CCR2EIF2AK3PRMT5
SCHEMBL14158521 0.85 CYBB (0.56) CYBBLCKKDRJAK2JAK3
SCHEMBL14158746 0.84 CYBB (0.52) CYBBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14158947 0.82 CYBB (0.47) CYBBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14158643 0.82 ROCK1 (0.46) CYBBROCK2ROCK1CDC42BPB
SCHEMBL14158776 0.82 CYBB (0.45) CYBBPGAM1CCR2ABL1BCR

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 1/4885PIK3CD 1641/4885PIK3CA 2148/4885

“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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