SCHEMBL1485482

SCHEMBL1485482

CCOC(=N)c1ccc(Br)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.46
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
SLC6A4 P31645 1/20 0.39
ALOX5 P09917 4/20 0.38
MAP2K1 Q02750 1/20 0.37
LMNA P02545 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
S1PR4 O95977 1/20 0.37
MAPT P10636 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
GABRA1 P14867 1/20 0.36

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 SCHEMBL31426415 0.98 DGAT1 (0.45) DGAT1DYRK1ADYRK1BSLC6A4ALOX5
Hydrochloric Acid SCHEMBL1485480 0.98 DGAT1 (0.45) DGAT1DYRK1ADYRK1BSLC6A4ALOX5
SCHEMBL10040529 0.83 CES2 (0.46) LMNAKMT2AMEN1MAPTMAPK1
SCHEMBL16028793 0.81 DGAT1 (0.50) DGAT1DYRK1ADYRK1BSLC6A4MAP2K1
SCHEMBL9005605 0.80 DGAT1 (0.41) DGAT1SLC6A4LMNAKMT2AMEN1
SCHEMBL719657 0.80 DGAT1 (0.54) DGAT1ALOX5LMNASMN1; SMN2ALDH1A1
SCHEMBL15106284 0.79 CPS1 (0.48) LMNAKMT2AMEN1ALDH1A1GAA
Hydrochloric Acid SCHEMBL31426389 0.79 DGAT1 (0.53) DGAT1ALOX5LMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL15106283 0.78 CPS1 (0.47) LMNAKMT2AMEN1ALDH1A1GAA
SCHEMBL12693237 0.76 SMN1; SMN2 (0.41) DGAT1DYRK1ADYRK1BSLC6A4LMNA

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382889-A1 COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-11-30 US disclosed
US-20230382889-A1 COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-11-30 US disclosed
WO-2023212240-A1 COMPOUNDS FOR INHIBITING KIF18A VOLASTRA THERAPEUTICS, INC. (US) 2023-11-02 WO disclosed
EP-3845540-A1 INTERMEDIATES FOR THE SYNTHESIS OF BENZOXAZEPIN COMPOUNDS F. Hoffmann-La Roche AG (CH) 2021-07-07 EP disclosed
US-20180207132-A1 SPIROCYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2018-07-26 US disclosed
EP-2688891-B1 BENZOXAZEPIN COMPOUNDS SELECTIVE FOR PI3K P110 DELTA AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2017-11-15 EP 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-9670228-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-06-06 US disclosed
US-9670228-B2 Benzoxazepin PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2017-06-06 US disclosed
US-20120244149-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BLAQUIERE NICOLE (US) 2012-09-27 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
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
WO-2011036280-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO 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
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 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 (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-20230382889-A1 COMPOUNDS FOR INHIBITING KIF18A KIF18A, KIF18B, KIF2C DGAT1 1753/4885DYRK1A 2926/4885DYRK1B 3393/4885
US-20120244149-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA DGAT1 3029/4885DYRK1A 2167/4885DYRK1B 2399/4885
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 DGAT1 1976/4885DYRK1A 1415/4885DYRK1B 1171/4885
US-20180207132-A1 SPIROCYCLIC COMPOUNDS PKD1, AR, PKD2 DGAT1 1617/4885DYRK1A 4591/4885DYRK1B 4696/4885
US-20110076292-A1 BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BMX, PIK3CA, PI4KA DGAT1 3029/4885DYRK1A 2167/4885DYRK1B 2399/4885

“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.