SCHEMBL1485257

SCHEMBL1485257

CSC(=N)NC(=O)c1cn2c(n1)-c1ccc(Br)cc1OCC2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.41
MAP3K14 Q99558 17/20 0.40
PIK3CD O00329 2/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CG P48736 1/20 0.37

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
SCHEMBL16028669 0.90 PIK3CA (0.42) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CG
SCHEMBL16074591 0.86 PIK3CA (0.42) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CG
SCHEMBL19594749 0.82 PIK3CA (0.42) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CG
SCHEMBL1485127 0.82 PIK3CA (0.42) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CG
SCHEMBL1484978 0.81 MAP3K14 (0.43) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CG
SCHEMBL1485015 0.81 MAP3K14 (0.44) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CG
SCHEMBL1484994 0.80 MAP3K14 (0.55) MAP3K14PIK3CDPIK3R1
SCHEMBL12689314 0.80 MAP3K14 (0.43) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CG
SCHEMBL12696762 0.79 PIK3CA (0.41) PIK3CAMAP3K14PIK3CDPIK3R1PIK3CG
SCHEMBL1485403 0.78 MAP3K14 (0.38) MAP3K14PIK3CDPIK3R1

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 13 patents. 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-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-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-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-20140058098-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-02-27 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-8242104-B2 Benzoxazepin P13K inhibitor compounds and methods of use F. HOFFMAN-LA ROCHE AG (CH) 2012-08-14 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 (6 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 2/4885MAP3K14 210/4885PIK3CD 7/4885
US-20140288047-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885MAP3K14 210/4885PIK3CD 7/4885
US-20130079331-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885MAP3K14 210/4885PIK3CD 7/4885
US-20160052933-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885MAP3K14 210/4885PIK3CD 7/4885
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885MAP3K14 210/4885PIK3CD 7/4885
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885MAP3K14 210/4885PIK3CD 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.