SCHEMBL1180968

SCHEMBL1180968

CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 1.00
PIK3CB P42338 17/20 1.00
PIK3CD O00329 16/20 1.00
PIK3CG P48736 16/20 1.00
MTOR P42345 4/20 1.00
RPTOR Q8N122 1/20 0.71
MLST8 Q9BVC4 1/20 0.71
PIK3R1 P27986 1/20 0.69

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
SCHEMBL1181549 0.93 PIK3CA (0.87) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1181124 0.92 PIK3CA (0.86) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1180871 0.92 PIK3CA (0.85) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1180485 0.91 PIK3CA (0.83) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1180691 0.91 PIK3CA (0.83) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1181249 0.91 PIK3CA (1.00) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1181290 0.90 PIK3CA (0.82) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1180838 0.90 PIK3CD (0.82) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1180971 0.90 PIK3CA (1.00) PIK3CAPIK3CBPIK3CDPIK3CGMTOR
SCHEMBL1180963 0.90 PIK3CA (0.81) PIK3CAPIK3CBPIK3CDPIK3CGMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518074-B1 Phosphoinositide 3-kinase inhibitor compounds and methods of use HOFFMANN LA ROCHE (CH) 2015-07-22 EP claimed
US-20130129820-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-05-23 US claimed
US-8383620-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-02-26 US claimed
EP-2518074-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2012-10-31 EP claimed
US-20110097349-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-04-28 US claimed
US-7888352-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIRAMED LIMITED (GB) 2011-02-15 US claimed
EP-2114949-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2009-11-11 EP claimed
US-20080242665-A1 1-(4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticarcinogenic agent; F. HOFFMANN-LA ROCHE AG (CH) 2008-10-02 US claimed
WO-2008070740-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO claimed
EP-2518074-B1 Phosphoinositide 3-kinase inhibitor compounds and methods of use HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
EP-2518074-B1 Phosphoinositide 3-kinase inhibitor compounds and methods of use HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
US-8993563-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-31 US disclosed
US-8993563-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-31 US disclosed
US-8993563-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-31 US disclosed
US-7888352-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIRAMED LIMITED (GB) 2011-02-15 US disclosed
EP-2114949-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2009-11-11 EP disclosed
US-20080242665-A1 1-(4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticarcinogenic agent; F. HOFFMANN-LA ROCHE AG (CH) 2008-10-02 US disclosed
US-20080242665-A1 1-(4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticarcinogenic agent; F. HOFFMANN-LA ROCHE AG (CH) 2008-10-02 US disclosed
WO-2008070740-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed
WO-2008070740-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-12 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 (3 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-20110097349-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CA 1/4885PIK3CB 15/4885PIK3CD 5/4885
US-20080242665-A1 1-(4-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticarcinogenic agent; PI4KA, DMPK, PDPK1 PIK3CA 9/4885PIK3CB 48/4885PIK3CD 11/4885
US-20130129820-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CA 1/4885PIK3CB 15/4885PIK3CD 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.