SCHEMBL190071

SCHEMBL190071

Nc1ncc(-c2nc(N3CCOCC3)c3ccoc3n2)cn1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.66
MTOR P42345 7/20 0.63
PIK3CD O00329 3/20 0.63
PIK3CB P42338 3/20 0.63
PIK3CG P48736 2/20 0.63
PIK3R1 P27986 2/20 0.56
RICTOR Q6R327 2/20 0.52
RPTOR Q8N122 2/20 0.52
MAPKAP1 Q9BPZ7 2/20 0.52
MLST8 Q9BVC4 2/20 0.52

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
SCHEMBL4446918 0.77 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL30186907 0.76 PIK3CA (0.63) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL15454492 0.75 PIK3CA (0.74) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4436841 0.75 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4437369 0.74 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4056512 0.74 PIK3CA (0.64) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1309523 0.74 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL15454382 0.74 PIK3CA (0.66) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4438200 0.73 SMN1; SMN2 (0.49) PIK3CAPIK3R1
SCHEMBL4436108 0.73 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP claimed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US claimed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO claimed
US-9943519-B2 Pharmaceutical compounds GENENTECH, INC. (US) 2018-04-17 US disclosed
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2016-06-02 US disclosed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-16 US disclosed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
EP-2041139-A2 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-01 EP disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 US disclosed
WO-2007127175-A2 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 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 (4 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-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885MTOR 37/4885PIK3CD 2/4885
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PIK3CA 1/4885MTOR 17/4885PIK3CD 2/4885
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CA 1/4885MTOR 11/4885PIK3CD 5/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PIK3CA 1/4885MTOR 17/4885PIK3CD 2/4885

“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.