SCHEMBL1485501

SCHEMBL1485501

Cc1nc(-c2cn3c(n2)-c2cnc(Cl)cc2OCC3)n(CC(F)(F)F)n1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.65
PIK3CA P42336 8/20 0.49
PIK3CG P48736 4/20 0.47

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
SCHEMBL1485548 0.89 PIK3CD (0.65) PIK3CDPIK3CAPIK3CG
SCHEMBL1485416 0.89 PIK3CD (0.65) PIK3CDPIK3CAPIK3CG
SCHEMBL12689287 0.88 PIK3CD (0.51) PIK3CDPIK3CAPIK3CG
SCHEMBL1528401 0.88 PIK3CA (0.60) PIK3CDPIK3CAPIK3CG
SCHEMBL1485324 0.88 PIK3CA (0.52) PIK3CDPIK3CAPIK3CG
SCHEMBL12838011 0.86 PIK3CD (0.74) PIK3CDPIK3CAPIK3CG
SCHEMBL1485526 0.83 PIK3CD (0.59) PIK3CDPIK3CAPIK3CG
SCHEMBL1485552 0.82 PIK3CD (0.57) PIK3CDPIK3CAPIK3CG
SCHEMBL1485666 0.81 PIK3CD (0.57) PIK3CDPIK3CAPIK3CG
SCHEMBL12539623 0.81 PIK3CA (0.65) PIK3CDPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2688891-B1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
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-9546178-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-01-17 US disclosed
US-9546178-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-01-17 US disclosed
US-20160052933-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-02-25 US disclosed
US-9198918-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-12-01 US disclosed
US-9198918-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-12-01 US disclosed
US-20120244149-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BLAQUIERE NICOLE (US) 2012-09-27 US disclosed
WO-2012126901-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-09-27 WO disclosed
US-20120245144-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE GENENTECH, INC. (US) 2012-09-27 US disclosed
US-20120245144-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE GENENTECH, INC. (US) 2012-09-27 US disclosed
US-20120245144-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE GENENTECH, INC. (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
EP-2483278-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2012-08-08 EP 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
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 PIK3CD 7/4885PIK3CA 2/4885PIK3CG 23/4885
US-20120245144-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE PIK3CA, PIK3CD, PIK3R4 PIK3CD 2/4885PIK3CA 1/4885PIK3CG 5/4885
US-20160052933-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CD 7/4885PIK3CA 2/4885PIK3CG 23/4885
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CD 7/4885PIK3CA 2/4885PIK3CG 23/4885
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CD 7/4885PIK3CA 2/4885PIK3CG 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.