SCHEMBL1959987

SCHEMBL1959987

Nc1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cc2c1cnn2S(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.59
PIK3CG P48736 12/20 0.59
PIK3CA P42336 6/20 0.59
PIK3CB P42338 6/20 0.59
PIK3R1 P27986 4/20 0.52
MTOR P42345 3/20 0.52

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
SCHEMBL1118851 0.91 PIK3CG (0.52) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL1118888 0.81 PIK3CB (0.56) PIK3CGPIK3CAPIK3CB
SCHEMBL1961103 0.81 HTR6 (0.36) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL1958201 0.81 PIK3CG (0.48) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL1118916 0.79 PIK3CG (0.51) PIK3CDPIK3CGPIK3CAPIK3CBMTOR
SCHEMBL1252454 0.78 HTR6 (0.40) PIK3CA
SCHEMBL3662525 0.77 PIK3CD (0.80) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL3761617 0.76 PIK3CD (1.00) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL3770642 0.76 PIK3CD (0.79) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL28800823 0.76 PIK3CD (0.74) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507223-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES Glaxo Group Limited (GB) 2012-10-10 EP disclosed
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US disclosed
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US disclosed
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US disclosed
WO-2011067365-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2011-06-09 WO disclosed
WO-2011067365-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2011-06-09 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-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3C3, PIK3CA, PIK3CD PIK3CD 3/4885PIK3CG 14/4885PIK3CA 2/4885

“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.