SCHEMBL1528032

SCHEMBL1528032

NC(=O)CN1CC(c2ccc3c(c2)OCCc2cn(-c4ncnn4-c4ccc(F)cc4F)nc2-3)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.46
PIK3C3 Q8NEB9 2/20 0.46
PIK3CB P42338 6/20 0.36
TLR9 Q9NR96 2/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL1528262 0.90 PIK3CA (0.44) PIK3CAPIK3C3PIK3CBRAB9A
SCHEMBL1528100 0.89 PIK3CA (0.42) PIK3CAPIK3C3TLR9TLR8TLR7
SCHEMBL1528227 0.88 PIK3CA (0.47) PIK3CAPIK3C3PIK3CB
SCHEMBL11967365 0.87 PIK3CA (0.40) PIK3CAPIK3C3PIK3CBTLR9TLR8
SCHEMBL12689348 0.85 PIK3CA (0.45) PIK3CAPIK3C3PIK3CB
SCHEMBL1484932 0.85 PIK3CA (0.42) PIK3CAPIK3C3PIK3CB
Hydrochloric Acid SCHEMBL1485107 0.85 PIK3CA (0.44) PIK3CAPIK3C3PIK3CB
SCHEMBL11967319 0.84 PIK3CA (0.63) PIK3CAPIK3C3PIK3CB
SCHEMBL1528215 0.82 PIK3CA (0.61) PIK3CAPIK3CB
SCHEMBL1485213 0.81 PIK3CA (0.47) PIK3CAPIK3C3PIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
US-9198918-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-12-01 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
WO-2012156379-A1 PIK3/P110α INHIBITORS FOR PREVENTION OF RESTENOSIS BY APPLICATION AS AN IMPLANT COATING Universität Zürich (CH) 2012-11-22 WO 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
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
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 (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-20120244149-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3C3 134/4885PIK3CB 17/4885
US-20130079331-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3C3 134/4885PIK3CB 17/4885
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3C3 134/4885PIK3CB 17/4885
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3C3 134/4885PIK3CB 17/4885

“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.