SCHEMBL1860846

SCHEMBL1860846

c1cc(-c2nc(N3CCOCC3)c3sccc3n2)c2cc[nH]c2c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.74
PIK3CD O00329 13/20 0.65
PIK3CB P42338 11/20 0.65
PIK3CG P48736 10/20 0.65
ATR Q13535 1/20 0.58
MTOR P42345 2/20 0.56
PIK3C2B O00750 1/20 0.55
CCNE2 O96020 1/20 0.55
PRKACA P17612 1/20 0.55
PRKACG P22612 1/20 0.55
PRKACB P22694 1/20 0.55
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55
KDR P35968 1/20 0.55

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
SCHEMBL1857546 0.85 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL24811614 0.84 ATR (0.73) ATRMTOR
SCHEMBL29805950 0.84 ATR (0.73) ATRMTOR
SCHEMBL1861448 0.83 PIK3CD (0.67) PIK3CAPIK3CDPIK3CBPIK3CGATR
SCHEMBL1309475 0.82 PIK3CD (0.64) PIK3CAPIK3CDPIK3CBPIK3CGATR
SCHEMBL30725653 0.82 PIK3CD (0.62) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1859684 0.81 PIK3CA (0.75) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1863104 0.81 PIK3CD (0.65) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL393696 0.81 PIK3CD (0.81) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1860203 0.80 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046799-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH INC (US) 2017-07-19 EP claimed
US-8450315-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-05-28 US claimed
US-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-05-05 US claimed
EP-2046799-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Genentech, Inc. (US) 2009-04-15 EP claimed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US claimed
WO-2007127183-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH, INC. (US) 2007-11-08 WO claimed
EP-2046799-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH INC (US) 2017-07-19 EP disclosed
EP-2046799-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH INC (US) 2017-07-19 EP disclosed
US-8450315-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-05-28 US disclosed
US-8450315-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-05-28 US disclosed
US-8450315-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-05-28 US disclosed
US-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-05-05 US disclosed
US-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-05-05 US disclosed
US-7846929-B2 Using 1-(4-((2-(aminopyrimidin-5-yl)-4-morpholinothieno(3,2-d)pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticancer agents ; antiinflammatory agents; antidiabetic agents GENENTECH, INC. (US) 2010-12-07 US disclosed
US-7846929-B2 Using 1-(4-((2-(aminopyrimidin-5-yl)-4-morpholinothieno(3,2-d)pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticancer agents ; antiinflammatory agents; antidiabetic agents GENENTECH, INC. (US) 2010-12-07 US disclosed
EP-2046799-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Genentech, Inc. (US) 2009-04-15 EP disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
WO-2007127183-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH, INC. (US) 2007-11-08 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-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PIK3CB, PIK3C2B PIK3CA 6/4885PIK3CD 10/4885PIK3CB 2/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA PIK3CA 1/4885PIK3CD 5/4885PIK3CB 4/4885

“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.