SCHEMBL1173485

SCHEMBL1173485

CC1(c2cc(Br)ccc2F)COCC(N)=N1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.62
APP P05067 1/20 0.62
BACE2 Q9Y5Z0 10/20 0.61

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
SCHEMBL10320602 1.00 BACE1 (0.62) BACE1APPBACE2
SCHEMBL1173478 1.00 BACE1 (0.62) BACE1APPBACE2
SCHEMBL1173234 0.86 BACE1 (0.65) BACE1BACE2
SCHEMBL1173232 0.86 BACE1 (0.65) BACE1BACE2
SCHEMBL1173319 0.86 BACE1 (0.65) BACE1BACE2
Hydrochloric Acid SCHEMBL1173549 0.85 BACE1 (0.63) BACE1BACE2
Hydrochloric Acid SCHEMBL8220731 0.85 BACE1 (0.63) BACE1BACE2
SCHEMBL8994127 0.85 BACE1 (0.47) BACE1APPBACE2
Hydrochloric Acid SCHEMBL8211465 0.85 BACE1 (0.63) BACE1BACE2
SCHEMBL11306860 0.85 BACE1 (0.47) BACE1APPBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284284-B2 Oxazine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2016-03-15 US disclosed
US-9242943-B2 1,4 oxazines as BACE1 and/or BACE2 inhibitors SIENA BIOTECH S.P.A. (IT) 2016-01-26 US disclosed
US-9242943-B2 1,4 oxazines as BACE1 and/or BACE2 inhibitors SIENA BIOTECH S.P.A. (IT) 2016-01-26 US disclosed
US-9242943-B2 1,4 oxazines as BACE1 and/or BACE2 inhibitors SIENA BIOTECH S.P.A. (IT) 2016-01-26 US disclosed
US-20140256715-A1 Novel Oxazine Derivatives and their use in the Treatment of Disease NOVARTIS AG (CH) 2014-09-11 US disclosed
EP-2766358-A1 NOVEL OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2014-08-20 EP disclosed
US-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2013-08-01 US disclosed
WO-2013054291-A1 NOVEL OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2013-04-18 WO disclosed
US-8399459-B2 1,4 oxazines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES ANDREINI MATTEO (IT) 2012-08-23 US disclosed
US-20120196863-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS SIENA BIOTECH S.P.A. (IT) 2012-08-02 US disclosed
WO-2012098064-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184540-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-19 US disclosed
US-20120184540-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-19 US disclosed
US-20120184540-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-19 US disclosed
US-8188079-B2 3-amino-5-phenyl-5,6-dihydro-2H-[1,4]oxazines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20120184540-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 BACE1 2/4885APP 5/4885BACE2 1/4885
US-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP BACE1 2/4885APP 3/4885BACE2 1/4885
US-20140256715-A1 Novel Oxazine Derivatives and their use in the Treatment of Disease BACE2, BACE1, PSEN1 BACE1 2/4885APP 5/4885BACE2 1/4885
US-20120196863-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 BACE1 2/4885APP 5/4885BACE2 1/4885
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP BACE1 2/4885APP 3/4885BACE2 1/4885
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP BACE1 2/4885APP 3/4885BACE2 1/4885

“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.