SCHEMBL173490

SCHEMBL173490

COc1ncc(-c2cc(-c3ncc(CN4C[C@@H](C)O[C@@H](C)C4)o3)c3cn[nH]c3c2)cc1NS(C)(=O)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 1.00
PIK3CA P42336 12/20 1.00
PIK3CB P42338 12/20 1.00
PIK3CG P48736 12/20 1.00
PIK3R2 O00459 1/20 1.00
PIK3R1 P27986 8/20 0.54

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
SCHEMBL660510 1.00 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL29394358 1.00 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL657898 1.00 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL18926572 0.93 PIK3CD (0.86) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL17268366 0.93 PIK3CD (0.86) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL18934404 0.92 PIK3CD (0.84) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
Mandelic Acid SCHEMBL660110 0.91 PIK3CD (0.82) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL16938681 0.90 PIK3CD (0.82) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL459118 0.89 PIK3CD (0.80) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL714987 0.89 PIK3CD (0.80) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2

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 166 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220112625-A1 Diagnosing and Treating Neurological and Autoimmune Diseases by Optimizing Metabolic Responses POSTREL RICHARD (US) 2022-04-14 US claimed
EP-3260453-B1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS GLAXO GROUP LTD (GB) 2021-03-31 EP claimed
US-20190070166-A1 Optimized Method for Treating and Curing Arthritis, Diabetes, Multiple Sclerosis and Other Autoimmune Disease POSTREL RICHARD (US) 2019-03-07 US claimed
EP-3260453-A1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS Glaxo Group Limited (GB) 2017-12-27 EP claimed
EP-2899191-B1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS GLAXO GROUP LTD (GB) 2017-08-09 EP claimed
US-20170015656-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2017-01-19 US claimed
US-20160263109-A1 P13K INHIBITOR FOR TREATMENT OF RESPIRATORY DISEASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-09-15 US claimed
EP-2613781-B1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-08-24 EP claimed
EP-3057587-A1 PI3K INHIBITOR FOR TREATMENT OF RESPIRATORY DISEASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-08-24 EP claimed
EP-3057588-A1 PI3K INHIBITOR FOR TREATMENT OF RESPIRATORY DISEASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-08-24 EP claimed
US-8735390-B2 Polymorphs and salts GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-05-27 US claimed
US-8609657-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-12-17 US claimed
US-8575162-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-05 US claimed
US-20130165441-A1 Novel Polymorphs and Salts GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US claimed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US claimed
US-20130131080-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-05-23 US claimed
US-20130096117-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-04-18 US claimed
US-20130029985-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-01-31 US claimed
US-20120046286-A1 Novel Compounds HAMBLIN JULIE NICOLE (GB) 2012-02-23 US claimed
US-20100280029-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20130165441-A1 Novel Polymorphs and Salts PRKDC, PRKACA, MAP3K20 PIK3CD 153/4885PIK3CA 133/4885PIK3CB 219/4885
US-20130029985-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B PIK3CD 1/4885PIK3CA 2/4885PIK3CB 4/4885
US-20130131080-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B PIK3CD 1/4885PIK3CA 2/4885PIK3CB 4/4885
US-20170015656-A1 NOVEL COMPOUNDS IPO5, IPO4, MAP4 PIK3CD 2049/4885PIK3CA 2869/4885PIK3CB 1717/4885
US-20100280029-A1 NOVEL COMPOUNDS PIK3CD, PIK3CA, PIK3C2B PIK3CD 1/4885PIK3CA 2/4885PIK3CB 4/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 PIK3CD 2938/4885PIK3CA 2691/4885PIK3CB 1706/4885
US-20120046286-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B PIK3CD 1/4885PIK3CA 2/4885PIK3CB 4/4885
US-20130096117-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B PIK3CD 1/4885PIK3CA 2/4885PIK3CB 4/4885
US-20160263109-A1 P13K INHIBITOR FOR TREATMENT OF RESPIRATORY DISEASE PIK3CA, PIK3CD, PIK3R4 PIK3CD 2/4885PIK3CA 1/4885PIK3CB 5/4885

“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.