SCHEMBL14243203

SCHEMBL14243203

Cn1ccc2ccc(-c3c[nH]c4nccc(NS(=O)(=O)c5ccccc5)c34)cc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PFKFB3 Q16875 12/20 0.45
▸ PIK3CA P42336 3/20 0.39
▸ PIK3CD O00329 2/20 0.39
▸ PIK3R1 P27986 2/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.38
▸ IMPDH2 P12268 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL14158836 0.80 PIK3CA (0.53) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL14243179 0.77 KEAP1 (0.46) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL14243355 0.77 PIK3CD (0.47) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL14158780 0.76 PTGES2 (0.43) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL14158819 0.76 KAT6A (0.46) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL14243205 0.75 ROCK1 (0.46) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL14158617 0.75 SLC40A1 (0.46) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL14158971 0.75 SLC40A1 (0.42) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL14242800 0.74 LRRK2 (0.45) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL14158645 0.74 ROCK1 (0.48) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG

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 7 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
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 PFKFB3 3576/4885PIK3CA 2148/4885PIK3CD 1641/4885

“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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