SCHEMBL11967313

SCHEMBL11967313

CC(C)c1nc(N)nn1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL12341466 0.79 L3MBTL1 (0.32) ADORA2AADORA1
SCHEMBL12165475 0.76 HAVCR2 (0.31)
SCHEMBL19772682 0.76 ADORA2A (0.32) ADORA2AADORA1
SCHEMBL24377370 0.74 HRH4 (0.32)
SCHEMBL11967316 0.74 L3MBTL1 (0.40)
SCHEMBL11967276 0.70
SCHEMBL9604095 0.70
SCHEMBL18655418 0.70
SCHEMBL11967317 0.70
SCHEMBL11967295 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9175009-B2 Benzoxepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-11-03 US disclosed
US-20150094347-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-04-02 US disclosed
US-8952043-B2 Benzoxepin PI3K inhibitor compounds and methods of use GENETECH, INC. (US) 2015-02-10 US 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
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-20130012488-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BLAQUIERE NICOLE (US) 2013-01-10 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-8263633-B2 Benzoxepin PI3K inhibitor compounds and methods of use F. HOFFMAN-LA ROCHE AG (CH) 2012-09-11 US disclosed
US-8242104-B2 Benzoxazepin P13K inhibitor compounds and methods of use F. HOFFMAN-LA ROCHE AG (CH) 2012-08-14 US disclosed
US-20110076291-A1 BENZOXEPIN 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
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 (8 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-20130012488-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3R2 ADORA2A 4588/4885ADORA1 4098/4885
US-20120244149-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA ADORA2A 2511/4885ADORA1 1803/4885
US-20110076291-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 ADORA2A 3142/4885ADORA1 1871/4885
US-20140288047-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA ADORA2A 2511/4885ADORA1 1803/4885
US-20130079331-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA ADORA2A 2511/4885ADORA1 1803/4885
US-20150094347-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, NR2E1, NR2E3 ADORA2A 3142/4885ADORA1 1871/4885
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA ADORA2A 2511/4885ADORA1 1803/4885
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA ADORA2A 2511/4885ADORA1 1803/4885

“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.