SCHEMBL1485508

SCHEMBL1485508

NC(=O)CNc1ccc2c(c1)OCCn1cc(-c3ncnn3CC(F)(F)F)nc1-2

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.76
PIK3CG P48736 10/20 0.76
PIK3CD O00329 9/20 0.76

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
SCHEMBL12689538 0.93 PIK3CA (0.72) PIK3CAPIK3CGPIK3CD
Trifluoroacetic Acid SCHEMBL1485356 0.90 PIK3CA (0.69) PIK3CAPIK3CGPIK3CD
SCHEMBL1485684 0.89 PIK3CA (0.65) PIK3CAPIK3CGPIK3CD
SCHEMBL1485350 0.88 PIK3CA (0.69) PIK3CAPIK3CGPIK3CD
SCHEMBL12837645 0.87 PIK3CA (0.71) PIK3CAPIK3CGPIK3CD
SCHEMBL1485642 0.86 PIK3CA (1.00) PIK3CAPIK3CGPIK3CD
SCHEMBL12838016 0.84 PIK3CA (0.78) PIK3CAPIK3CGPIK3CD
SCHEMBL12837900 0.84 PIK3CA (0.68) PIK3CAPIK3CGPIK3CD
SCHEMBL12689482 0.84 PIK3CA (0.87) PIK3CAPIK3CGPIK3CD
SCHEMBL12693128 0.83 PIK3CA (0.72) PIK3CAPIK3CGPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198918-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-12-01 US claimed
US-20140288047-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-09-25 US claimed
EP-2483278-B1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2013-12-25 EP claimed
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-8242104-B2 Benzoxazepin P13K inhibitor compounds and methods of use F. HOFFMAN-LA ROCHE AG (CH) 2012-08-14 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-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-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-8586574-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-11-19 US disclosed
US-20130079331-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-03-28 US disclosed
US-8343955-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-01-01 US disclosed
US-20120244149-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BLAQUIERE NICOLE (US) 2012-09-27 US disclosed
US-8242104-B2 Benzoxazepin P13K inhibitor compounds and methods of use F. HOFFMAN-LA ROCHE AG (CH) 2012-08-14 US disclosed
WO-2011036280-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 US 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-20120244149-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3CG 23/4885PIK3CD 7/4885
US-20140288047-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3CG 23/4885PIK3CD 7/4885
US-20130079331-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3CG 23/4885PIK3CD 7/4885
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3CG 23/4885PIK3CD 7/4885
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3CG 23/4885PIK3CD 7/4885

“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.