SCHEMBL1976963

SCHEMBL1976963

CC1(c2cc([N+](=O)[O-])ccc2F)N=C(N)OCC1(F)F

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.53
BACE2 Q9Y5Z0 18/20 0.53
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49

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
SCHEMBL1976962 1.00 BACE1 (0.53) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL12981298 0.91 BACE2 (0.56) BACE1BACE2
SCHEMBL1974303 0.87 BACE1 (0.48) BACE1BACE2
SCHEMBL1974300 0.87 BACE1 (0.48) BACE1BACE2
SCHEMBL1978055 0.87 BACE1 (0.48) BACE1BACE2
SCHEMBL1978053 0.87 BACE1 (0.48) BACE1BACE2
SCHEMBL1979936 0.86 BACE1 (0.44) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL1979933 0.86 BACE1 (0.44) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL12478172 0.84 BACE1 (0.57) BACE1BACE2
SCHEMBL12478175 0.84 BACE1 (0.57) BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073909-B2 [1,3]oxazines HOFFMANN-LA ROCHE INC. (US) 2015-07-07 US disclosed
US-8785436-B2 1,3-oxazines as BACE 1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-07-22 US disclosed
US-20140112867-A1 [1,3]OXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 US disclosed
EP-2709992-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2014-03-26 EP disclosed
US-8389513-B2 2-amino-5,5-difluoro-5,6-dihydro-4H-[1,3]oxazin-4-yl)-phenyl]-amides HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 US disclosed
WO-2012156284-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 WO disclosed
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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 (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-20140112867-A1 [1,3]OXAZINES BACE2, BACE1, APP BACE1 2/4885BACE2 1/4885PSEN1 4/4885
US-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 BACE1 2/4885BACE2 1/4885PSEN1 3/4885
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES BACE2, BACE1, APP BACE1 2/4885BACE2 1/4885PSEN1 6/4885

“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.