SCHEMBL1485684

SCHEMBL1485684

NC(=O)CNc1cc2c(cn1)-c1nc(-c3ncnn3CC(F)(F)F)cn1CCO2

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.65
PIK3CD O00329 8/20 0.65
PIK3CG P48736 7/20 0.65

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
SCHEMBL1485666 0.89 PIK3CD (0.57) PIK3CAPIK3CDPIK3CG
SCHEMBL1485508 0.89 PIK3CA (0.76) PIK3CAPIK3CDPIK3CG
SCHEMBL11967555 0.83 PIK3CA (0.72) PIK3CAPIK3CDPIK3CG
SCHEMBL12688770 0.82 PIK3CA (0.65) PIK3CAPIK3CDPIK3CG
SCHEMBL1485310 0.82 PIK3CA (0.64) PIK3CAPIK3CDPIK3CG
SCHEMBL1485520 0.82 PIK3CA (0.62) PIK3CAPIK3CDPIK3CG
SCHEMBL12838016 0.81 PIK3CA (0.78) PIK3CAPIK3CDPIK3CG
SCHEMBL12689538 0.81 PIK3CA (0.72) PIK3CAPIK3CDPIK3CG
SCHEMBL1485778 0.81 PIK3CA (0.56) PIK3CAPIK3CDPIK3CG
SCHEMBL1485315 0.79 PIK3CA (0.69) PIK3CAPIK3CDPIK3CG

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343955-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-01-01 US claimed
US-20120244149-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BLAQUIERE NICOLE (US) 2012-09-27 US claimed
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US claimed
US-9670228-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-06-06 US disclosed
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2017-03-23 US disclosed
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2017-03-23 US disclosed
US-9546178-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-01-17 US disclosed
US-9198918-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-12-01 US disclosed
EP-2845592-A1 Benzoxazepin PI3K inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2015-03-11 EP disclosed
US-20140288047-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-09-25 US disclosed
US-8785626-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-07-22 US disclosed
EP-2711368-A1 Benzoxazepin PI3K inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2014-03-26 EP disclosed
US-20140058098-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-02-27 US disclosed
WO-2011036280-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 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 (5 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-20140058098-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3CD 7/4885PIK3CG 23/4885
US-20120244149-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3CD 7/4885PIK3CG 23/4885
US-20140288047-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3CD 7/4885PIK3CG 23/4885
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3CD 7/4885PIK3CG 23/4885
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3CD 7/4885PIK3CG 23/4885

“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.