SCHEMBL1958201

SCHEMBL1958201

Cc1ncc(-c2cc(N)c3cnn(S(=O)(=O)c4ccccc4)c3c2)cc1NS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.48
PIK3C3 Q8NEB9 1/20 0.40
PIK3CA P42336 7/20 0.39
MTOR P42345 1/20 0.39
PIK3CD O00329 6/20 0.38
PIK3CB P42338 5/20 0.38
PI4KA P42356 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
HTR6 P50406 2/20 0.36

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 0.90 PIK3CG (0.52) PIK3CGPIK3CAMTORPIK3CDPIK3CB
SCHEMBL1118916 0.88 PIK3CG (0.51) PIK3CGPIK3CAMTORPIK3CDPIK3CB
SCHEMBL1118792 0.82 PIK3CB (0.47) PIK3CGPIK3CAPIK3CBHTR6
SCHEMBL1959668 0.81 HTR6 (0.36) PIK3CGHTR6
SCHEMBL1959987 0.81 PIK3CD (0.59) PIK3CGPIK3CAMTORPIK3CDPIK3CB
SCHEMBL1252454 0.80 HTR6 (0.40) PIK3CAGSK3BHTR6
SCHEMBL470192 0.79 NR1H2 (0.41) HTR6
SCHEMBL15069989 0.76 PIK3CD (0.55) PIK3CGPIK3C3PIK3CAPIK3CDPIK3CB
SCHEMBL1118888 0.75 PIK3CB (0.56) PIK3CGPIK3CAPIK3CB
SCHEMBL12450255 0.75 HTR6 (0.45) HTR6

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
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
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 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
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US 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 (2 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-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES CDK3, CDK13, MAP3K13 PIK3CG 181/4885PIK3C3 74/4885PIK3CA 64/4885
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3C3, PIK3CA, PIK3CD PIK3CG 14/4885PIK3C3 1/4885PIK3CA 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.