SCHEMBL461589

SCHEMBL461589

Cc1ccc(S(=O)(=O)n2ncc3c(C#N)cc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.45
EGFR P00533 5/20 0.45
PIK3CD O00329 8/20 0.44
PIK3CG P48736 7/20 0.44
PIK3CB P42338 7/20 0.44
TNIK Q9UKE5 3/20 0.37
PRKDC P78527 1/20 0.37
MTOR P42345 2/20 0.35
PIK3R1 P27986 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
SCHEMBL715884 0.82 PIK3CD (0.43) PIK3CAEGFRPIK3CDPIK3CGPIK3CB
SCHEMBL720486 0.82 PIK3CA (0.41) PIK3CAEGFRPIK3CDPIK3CGPIK3CB
SCHEMBL470114 0.80 PIK3CA (0.39) PIK3CAEGFRPIK3CDPIK3CGPIK3CB
SCHEMBL1118851 0.78 PIK3CG (0.52) PIK3CAEGFRPIK3CDPIK3CGPIK3CB
SCHEMBL470162 0.75 PIK3CA (0.40) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL456526 0.74 ALDH1A1 (0.43) PIK3CAPIK3CD
SCHEMBL15959858 0.73 PIK3CA (0.53) PIK3CAEGFRPIK3CDPIK3CGPIK3CB
SCHEMBL723326 0.72 PIK3CD (0.34) PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1772959 0.70 PIK3CG (0.44) PIK3CAEGFRPIK3CDPIK3CGPIK3CB
SCHEMBL2992752 0.70 HSD11B1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
EP-2406255-B1 4-OXADIAZOL-2-YL-INDAZOLES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2015-04-29 EP disclosed
EP-2406255-B1 4-OXADIAZOL-2-YL-INDAZOLES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2015-04-29 EP disclosed
US-8524751-B2 4-oxadiazol-2-YL-indazoles as inhibitors of P13 kinases GlaxoSmithKline Intellecutual Property Development (GB) 2013-09-03 US disclosed
US-8524751-B2 4-oxadiazol-2-YL-indazoles as inhibitors of P13 kinases GlaxoSmithKline Intellecutual Property Development (GB) 2013-09-03 US disclosed
EP-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
WO-2010102958-A1 4-OXADIAZOL-2 -YL- INDAZOLES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2010-09-16 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 (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-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 PIK3CA 2691/4885EGFR 1660/4885PIK3CD 2938/4885
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases CDK3, CDK13, AKT3 PIK3CA 6/4885EGFR 781/4885PIK3CD 11/4885

“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.