SCHEMBL1771817

SCHEMBL1771817

COc1ncc(-c2cc(NC(=O)c3csc(CN4C[C@@H](C)O[C@@H](C)C4)n3)c3cnn(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.51
PIK3R1 P27986 6/20 0.45
MTOR P42345 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44

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
SCHEMBL1118697 0.90 PIK3CA (0.47) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1772516 0.89 PIK3CD (0.51) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL458835 0.89 PIK3CD (0.55) PIK3CAPIK3R1MTORPIK3CDPIK3CB
SCHEMBL1120003 0.81 PIK3CD (0.41) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1771718 0.80 PIK3CD (0.55) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL459637 0.79 PIK3CA (0.52) PIK3CAPIK3R1MTORPIK3CDPIK3CB
Trifluoroacetic Acid SCHEMBL1771942 0.79 PIK3CD (0.52) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1118655 0.78 PIK3CD (0.56) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1771530 0.78 PIK3CD (0.69) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1772490 0.77 PIK3CD (0.60) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG

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
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 EP claimed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 US claimed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US claimed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 EP disclosed
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 EP disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 US disclosed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 US disclosed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 US disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US disclosed
WO-2009147187-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-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 (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 2691/4885PIK3R1 3030/4885MTOR 4081/4885
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES CDK3, CDK13, MAP3K13 PIK3CA 64/4885PIK3R1 415/4885MTOR 231/4885

“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.