SCHEMBL2215940

SCHEMBL2215940

O=C(Nc1cc(-c2cnc3c(cnn3S(=O)(=O)c3ccccc3)c2)cc2c1cnn2S(=O)(=O)c1ccccc1)c1csc(CN2CCOCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.39
PIK3R1 P27986 1/20 0.39
HPGDS O60760 1/20 0.39
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
MTOR P42345 2/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2210199 0.89 PIK3CD (0.38) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL2216932 0.88 PIK3CD (0.41) PIK3CDHPGDSPIK3CAPIK3CBPIK3CG
SCHEMBL1779663 0.78 RORC (0.36) PIK3CDPIK3CAPIK3CBPIK3CGHDAC1
SCHEMBL1771925 0.77 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2056477 0.75 PIK3CD (0.52) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL1118950 0.75 PIK3CD (0.52) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL1118925 0.72 PIK3CD (0.39) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL463255 0.72 PIK3C3 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGHDAC1
SCHEMBL2213984 0.71 PIK3CD (0.47) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL2212140 0.70 PIK3CD (0.46) PIK3CDHPGDSPIK3CAPIK3CBPIK3CG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
EP-2300437-B1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2013-11-20 EP disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US disclosed
WO-2009147188-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 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-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3CA, PIK3CD, PI4KA PIK3CD 2/4885PIK3R1 64/4885HPGDS 1982/4885

“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.