SCHEMBL12693237

SCHEMBL12693237

CCOC(=N)c1ccc(Br)cc1OCCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.37
ESR1 P03372 1/20 0.35
SLC6A4 P31645 1/20 0.35
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
DGAT1 O75907 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
POLB P06746 1/20 0.33
PABPC1 P11940 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
SCHEMBL1485482 0.76 DGAT1 (0.46) SMN1; SMN2LMNARAB9ANPC1KMT2A
Hydrochloric Acid SCHEMBL1485480 0.75 DGAT1 (0.45) SMN1; SMN2LMNARAB9ANPC1KMT2A
Hydrochloric Acid SCHEMBL31426415 0.75 DGAT1 (0.45) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL24502272 0.74 TDP1 (0.45) KMT2AHTTHPGDKDM4ENPSR1
Hydrochloric Acid SCHEMBL31078776 0.74 KDM4E (0.45) LMNARAB9AKMT2AKDM4ETSHR
SCHEMBL22281134 0.73 LMNA (0.54) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL8251806 0.72 APP (0.40) SMN1; SMN2LMNARAB9ANPC1KMT2A
SCHEMBL12693234 0.72 KDM4E (0.45) SMN1; SMN2RAB9AKMT2AMEN1HPGD
Hydrochloric Acid SCHEMBL22265067 0.72 SMN1; SMN2 (0.56) SMN1; SMN2LMNARAB9ANPC1KMT2A
Hydrochloric Acid SCHEMBL29362098 0.72 SMN1; SMN2 (0.56) SMN1; SMN2LMNARAB9ANPC1KMT2A

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
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
EP-2711368-B1 Benzoxazepin PI3K inhibitor compounds and methods of use HOFFMANN LA ROCHE (CH) 2016-03-23 EP disclosed
US-9198918-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-12-01 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-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
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
WO-2012126901-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-09-27 WO disclosed
US-20120245144-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE GENENTECH, INC. (US) 2012-09-27 US 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 SMN1; SMN2 2362/4885LMNA 1594/4885RAB9A 3640/4885
US-20120244149-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA SMN1; SMN2 2362/4885LMNA 1594/4885RAB9A 3640/4885
US-20140288047-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA SMN1; SMN2 2362/4885LMNA 1594/4885RAB9A 3640/4885
US-20120245144-A1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE PIK3CA, PIK3CD, PIK3R4 SMN1; SMN2 3432/4885LMNA 1464/4885RAB9A 3359/4885
US-20130079331-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA SMN1; SMN2 2362/4885LMNA 1594/4885RAB9A 3640/4885
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA SMN1; SMN2 2362/4885LMNA 1594/4885RAB9A 3640/4885
US-20170081341-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA SMN1; SMN2 2362/4885LMNA 1594/4885RAB9A 3640/4885

“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.