SCHEMBL4440787

SCHEMBL4440787

C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)nc2ccsc12

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.69
MTOR P42345 13/20 0.69
ATR Q13535 2/20 0.62
RPTOR Q8N122 10/20 0.62
MLST8 Q9BVC4 10/20 0.62
RICTOR Q6R327 8/20 0.62
MAPKAP1 Q9BPZ7 8/20 0.62
PIK3R1 P27986 8/20 0.62
PIK3CB P42338 3/20 0.62
PIK3CD O00329 2/20 0.62
PIK3CG P48736 2/20 0.62
PIK3C3 Q8NEB9 2/20 0.62
CHEK1 O14757 1/20 0.51
PDCD1 Q15116 1/20 0.51
ATRIP Q8WXE1 1/20 0.51
CD274 Q9NZQ7 1/20 0.51

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
SCHEMBL4440793 1.00 PIK3CA (0.69) PIK3CAMTORATRRPTORMLST8
SCHEMBL4443692 0.84 PIK3CA (0.69) PIK3CAMTORATRRPTORMLST8
SCHEMBL4443704 0.84 PIK3CA (0.69) PIK3CAMTORATRRPTORMLST8
SCHEMBL8194658 0.84 PIK3CA (0.63) PIK3CAMTORATRRPTORMLST8
SCHEMBL4438381 0.82 PIK3CA (0.58) PIK3CAMTORATRRPTORMLST8
SCHEMBL4436841 0.82 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL4436904 0.81 PIK3CA (0.59) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL4436910 0.81 PIK3CA (0.59) PIK3CAMTORRPTORMLST8RICTOR
SCHEMBL4439109 0.80 PIK3CA (0.73) PIK3CAMTORATRRPTORMLST8
SCHEMBL4439103 0.80 PIK3CA (0.73) PIK3CAMTORATRRPTORMLST8

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 13 patents. 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-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
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 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

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

For each of this compound's patents that has machine-readable text (1 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-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CA 1/4885MTOR 11/4885ATR 816/4885

“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.