SCHEMBL247850

SCHEMBL247850

CC(N)(CO)c1cc(Br)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
USP28 Q96RU2 1/20 0.34
USP25 Q9UHP3 1/20 0.34
KDM1A O60341 4/20 0.33
CASP1 P29466 1/20 0.33
KDM1B Q8NB78 1/20 0.32
DPP4 P27487 1/20 0.31
RBP4 P02753 1/20 0.31
ADRB2 P07550 1/20 0.31
PYCR1 P32322 1/20 0.30
MAP2K1 Q02750 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
SLC6A4 P31645 1/20 0.30
APLNR P35414 1/20 0.30

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
SCHEMBL1173372 1.00 DGAT1 (0.37) DGAT1PTGDR2PTPN7DUSP3USP28
SCHEMBL1173257 1.00 DGAT1 (0.37) DGAT1PTGDR2PTPN7DUSP3USP28
Hydrochloric Acid SCHEMBL16462425 0.98 DGAT1 (0.36) DGAT1PTGDR2PTPN7DUSP3USP28
SCHEMBL17004586 0.88 USP28 (0.34) DGAT1PTGDR2PTPN7DUSP3USP28
SCHEMBL17004584 0.88 USP28 (0.34) DGAT1PTGDR2PTPN7DUSP3USP28
SCHEMBL3171484 0.86 PTGDR2 (0.33) DGAT1PTGDR2PTPN7DUSP3KDM1A
SCHEMBL2585455 0.85 DGAT1 (0.38) DGAT1PTGDR2PTPN7DUSP3USP28
SCHEMBL2585458 0.85 DGAT1 (0.38) DGAT1PTGDR2PTPN7DUSP3USP28
SCHEMBL1977877 0.85 PTPN7 (0.35) DGAT1PTGDR2PTPN7DUSP3USP28
SCHEMBL362328 0.85 PTPN7 (0.35) DGAT1PTGDR2PTPN7DUSP3USP28

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855469-B1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-06-19 EP disclosed
EP-2855469-B1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-06-19 EP disclosed
EP-3083644-B1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN LA ROCHE (CH) 2019-03-13 EP disclosed
EP-3083644-B1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN LA ROCHE (CH) 2019-03-13 EP disclosed
US-9605006-B2 5-aryl-1-imino-1-oxo-[1,2,4]thiadiazines HOFFMANN-LA ROCHE INC. (US) 2017-03-28 US disclosed
US-9605006-B2 5-aryl-1-imino-1-oxo-[1,2,4]thiadiazines HOFFMANN-LA ROCHE INC. (US) 2017-03-28 US disclosed
US-9605006-B2 5-aryl-1-imino-1-oxo-[1,2,4]thiadiazines HOFFMANN-LA ROCHE INC. (US) 2017-03-28 US disclosed
US-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN-LA ROCHE INC. (US) 2016-11-03 US disclosed
US-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN-LA ROCHE INC. (US) 2016-11-03 US disclosed
US-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES HOFFMANN-LA ROCHE INC. (US) 2016-11-03 US disclosed
WO-2012062751-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 WO disclosed
WO-2012062751-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 WO disclosed
WO-2012000933-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATEMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA JANSSEN PHARMACEUTICA NV (BE) 2012-01-05 WO disclosed
WO-2012000933-A1 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATEMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA JANSSEN PHARMACEUTICA NV (BE) 2012-01-05 WO disclosed
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A. (IT) 2011-12-22 US disclosed
WO-2011080176-A1 PYRAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2011-07-07 WO disclosed
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2011-02-24 US disclosed
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2011-02-24 US disclosed
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2011-02-24 US disclosed
WO-2011020806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-02-24 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 (3 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-20160318952-A1 5-ARYL-1-IMINO-1-OXO-[1,2,4]THIADIAZINES BACE1, BACE2, PSEN1 DGAT1 2354/4885PTGDR2 1221/4885PTPN7 2962/4885
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 DGAT1 3131/4885PTGDR2 727/4885PTPN7 3749/4885
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP DGAT1 1954/4885PTGDR2 1306/4885PTPN7 2672/4885

“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.