SCHEMBL14820128

SCHEMBL14820128

N#Cc1ccc(Br)cc1OCCN

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
KDM4E B2RXH2 2/20 0.40
AAK1 Q2M2I8 2/20 0.37
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
NOS2 P35228 1/20 0.35
AR P10275 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HTR1B P28222 1/20 0.34
USP2 O75604 1/20 0.34
CCR5 P51681 1/20 0.34
XDH P47989 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
PDE4B Q07343 1/20 0.33

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
Hydrochloric Acid SCHEMBL16029388 0.98 KDM4E (0.43) MAOBMAOAKDM4EAAK1CYP2D6
Hydrochloric Acid SCHEMBL30085698 0.98 KDM4E (0.43) MAOBMAOAKDM4EAAK1CYP2D6
SCHEMBL14820084 0.90 MAOB (0.45) MAOBMAOAKDM4EAAK1NOS2
SCHEMBL30108128 0.83 PDE4B (0.46) MAOBMAOAAAK1ARALDH1A1
SCHEMBL16279970 0.83 PDE4B (0.46) MAOBMAOAAAK1ARALDH1A1
SCHEMBL2774024 0.82 HPGD (0.49) MAOBMAOAARALDH1A1HPGD
SCHEMBL8436504 0.82 EGFR (0.47) MAOBMAOAAAK1AR
SCHEMBL13581220 0.81 ALDH1A1 (0.55) ARALDH1A1HPGD
SCHEMBL89415 0.81 EGFR (0.41) MAOBMAOAKDM4EAAK1AR
SCHEMBL16596421 0.80 ALDH1A1 (0.57) ARALDH1A1HPGD

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
EP-3851441-B1 PROCESS FOR THE PREPARATION OF (S)-2-((2-((S)-4-(DIFLUOROMETHYL)-2-OXOOXAZOLIDIN-3-YL)-5,6-DIHYDROBENZO[F]IMIDAZO[1,2-D][1,4]OXAZEPIN-9-YL)AMINO) PROPANAMIDE HOFFMANN LA ROCHE (CH) 2023-06-28 EP disclosed
EP-3851441-A1 PROCESS FOR THE PREPARATION OF (S)-2-((2-((S)-4-(DIFLUOROMETHYL)-2-OXOOXAZOLIDIN-3-YL)-5,6-DIHYDROBENZO[F]IMIDAZO[1,2-D][1,4]OXAZEPIN-9-YL)AMINO) PROPANAMIDE F. Hoffmann-La Roche AG (CH) 2021-07-21 EP disclosed
EP-3845540-A1 INTERMEDIATES FOR THE SYNTHESIS OF BENZOXAZEPIN COMPOUNDS F. Hoffmann-La Roche AG (CH) 2021-07-07 EP disclosed
EP-3555107-B1 PROCESS FOR THE PREPARATION OF (S)-2-((2-((S)-4-(DIFLUOROMETHYL)-2-OXOOXAZOLIDIN-3-YL)-5,6-DIHYDROBENZO[F]IMIDAZO[1,2-D][1,4]OXAZEPIN-9-YL)AMINO)PROPANAMIDE HOFFMANN LA ROCHE (CH) 2021-02-17 EP disclosed
WO-2018109204-A1 PROCESS FOR THE PREPARATION OF (S)-2-((2-((S)-4-(DIFLUOROMETHYL)-2-OXOOXAZOLIDIN-3-YL)-5,6-DIHYDROBENZO[F]IMIDAZO[1,2-D][1,4]OXAZEPIN-9-YL)AMINO) PROPANAMIDE F. HOFFMANN-LA ROCHE AG (CH) 2018-06-21 WO disclosed
EP-2688891-B1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2017-11-15 EP 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-9303043-B2 Process for making benzoxazepin compounds GREENTECH, INC. (US) 2016-04-05 US disclosed
US-9090628-B2 Benzoxazepin compounds selective for PI3K P110 delta and methods of use GENENTECH, INC. (US) 2015-07-28 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-20140275523-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS GENENTECH, INC. (US) 2014-09-18 US 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
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
US-20130079331-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-03-28 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 (5 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 MAOB 2745/4885MAOA 3068/4885KDM4E 3058/4885
US-20140288047-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA MAOB 2745/4885MAOA 3068/4885KDM4E 3058/4885
US-20130079331-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA MAOB 2745/4885MAOA 3068/4885KDM4E 3058/4885
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA MAOB 2745/4885MAOA 3068/4885KDM4E 3058/4885
US-20140275523-A1 PROCESS FOR MAKING BENZOXAZEPIN COMPOUNDS PIK3C2B, PIP4K2C, PIK3C2A MAOB 1485/4885MAOA 1911/4885KDM4E 2529/4885

“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.