SCHEMBL16029441

SCHEMBL16029441

CC(=NC(=O)c1cn2c(n1)-c1ccc(Br)cc1OCC2)NNC(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.41
PIK3CG P48736 10/20 0.39
PIK3CD O00329 10/20 0.39
MAP3K14 Q99558 4/20 0.38
PIK3R2 O00459 3/20 0.37
PIK3CB P42338 3/20 0.37
PIK3R1 P27986 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
SCHEMBL16029438 1.00 PIK3CA (0.41) PIK3CAPIK3CGPIK3CDMAP3K14PIK3R2
SCHEMBL1485071 0.84 MAP3K14 (0.42) PIK3CAPIK3CGPIK3CDMAP3K14PIK3R1
SCHEMBL17613233 0.81 MAP3K14 (0.42) PIK3CAPIK3CGPIK3CDMAP3K14PIK3R1
SCHEMBL19594749 0.80 PIK3CA (0.42) PIK3CAPIK3CGPIK3CDMAP3K14PIK3R1
SCHEMBL12689314 0.80 MAP3K14 (0.43) PIK3CAPIK3CGPIK3CDMAP3K14PIK3R1
SCHEMBL16074590 0.78 PIK3CA (0.38) PIK3CAPIK3CGPIK3CDMAP3K14PIK3R2
SCHEMBL1484978 0.78 MAP3K14 (0.43) PIK3CAPIK3CGPIK3CDMAP3K14PIK3R1
SCHEMBL1485015 0.77 MAP3K14 (0.44) PIK3CAPIK3CGPIK3CDMAP3K14PIK3R1
SCHEMBL12696762 0.77 PIK3CA (0.41) PIK3CAPIK3CGPIK3CDMAP3K14PIK3R2
SCHEMBL1485289 0.77 MAP3K14 (0.40) PIK3CAPIK3CGPIK3CDMAP3K14PIK3R1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3845540-A1 INTERMEDIATES FOR THE SYNTHESIS OF BENZOXAZEPIN COMPOUNDS F. Hoffmann-La Roche AG (CH) 2021-07-07 EP disclosed
EP-3404032-A2 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS F. Hoffmann-La Roche AG (CH) 2018-11-21 EP disclosed
US-9303043-B2 Process for making benzoxazepin compounds GREENTECH, INC. (US) 2016-04-05 US disclosed
EP-2970329-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-20 EP disclosed
US-20140275523-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS GENENTECH, INC. (US) 2014-09-18 US disclosed
WO-2014140073-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-18 WO 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 (1 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-20140275523-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS PIK3C2B, PIP4K2C, PIK3C2A PIK3CA 9/4885PIK3CG 11/4885PIK3CD 6/4885

“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.