SCHEMBL1485440

SCHEMBL1485440

COC(=O)C(C)(C)N1CCC(c2ccc3c(c2)-c2nn(-c4ncnn4-c4ccc(F)cc4F)cc2CCO3)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.39
PIK3C3 Q8NEB9 2/20 0.38
MAPT P10636 2/20 0.38
MAPK14 Q16539 1/20 0.35
TP53 P04637 1/20 0.35
CNR2 P34972 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
PDK2 Q15119 1/20 0.33
NPY5R Q15761 2/20 0.32
RAB9A P51151 1/20 0.32
PDE10A Q9Y233 2/20 0.32

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
SCHEMBL11967370 0.89 PIK3CA (0.40) PIK3CAPIK3C3MAPTTP53CNR2
SCHEMBL12693202 0.88 MAPT (0.49) PIK3CAPIK3C3MAPTTP53SMN1; SMN2
SCHEMBL1528091 0.87 PIK3CA (0.39) PIK3CAPIK3C3MAPT
SCHEMBL1528100 0.85 PIK3CA (0.42) PIK3CAPIK3C3MAPTNPY5R
SCHEMBL1528279 0.84 PIK3CA (0.40) PIK3CAPIK3C3MAPT
SCHEMBL12689156 0.83 PIK3CA (0.43) PIK3CAPIK3C3MAPK14TP53PDE10A
Hydrochloric Acid SCHEMBL1485276 0.82 PIK3CA (0.42) PIK3CAPIK3C3MAPK14TP53
SCHEMBL1528195 0.82 TLR9 (0.39) PIK3CAPIK3C3
SCHEMBL1528227 0.81 PIK3CA (0.47) PIK3CAPIK3C3CNR2PDK2
SCHEMBL1484932 0.81 PIK3CA (0.42) PIK3CAPIK3C3MAPTTP53SMN1; SMN2

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 19 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
EP-2845592-A1 Benzoxazepin PI3K inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2015-03-11 EP 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
EP-2711368-A1 Benzoxazepin PI3K inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2014-03-26 EP disclosed
US-20140058098-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-02-27 US disclosed
EP-2483278-B1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2013-12-25 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 2/4885PIK3C3 134/4885MAPT 4229/4885
US-20120244149-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3C3 134/4885MAPT 4229/4885
US-20140288047-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3C3 134/4885MAPT 4229/4885
US-20130079331-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3C3 134/4885MAPT 4229/4885
US-20160052933-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3C3 134/4885MAPT 4229/4885
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3C3 134/4885MAPT 4229/4885
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA PIK3CA 2/4885PIK3C3 134/4885MAPT 4229/4885

“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.