SCHEMBL14158599

SCHEMBL14158599

CC(C)n1cc(-c2cccc(N3CCCC3)c2)c2c(Br)ccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ PRKDC P78527 1/20 0.43
▸ KDM5B Q9UGL1 1/20 0.38
▸ CYBB P04839 2/20 0.36
▸ CAMK2D Q13557 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ HTR7 P34969 3/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ LCK P06239 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ TEK Q02763 1/20 0.33

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
SCHEMBL14158746 0.76 CYBB (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14158736 0.76 CYBB (0.67) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14158947 0.76 CYBB (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14158891 0.75 CYBB (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14158590 0.74 CYBB (0.68) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14158938 0.73 CYBB (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14158573 0.66 CYBB (0.42) PIK3CACYBBLMNAKDRTEK
SCHEMBL14158908 0.66 KDR (0.32) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14158730 0.65 CYBB (0.45) CYBB
SCHEMBL2599759 0.64 TRIM24 (0.34) LMNALCKSRC

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 PIK3CD 1641/4885PIK3CA 2148/4885PIK3CB 1114/4885

“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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