SCHEMBL1975951

SCHEMBL1975951

C[C@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)OCC1(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
BACE2 Q9Y5Z0 11/20 1.00
PSEN1 P49768 1/20 1.00
PSEN2 P49810 1/20 1.00
APH1B Q8WW43 1/20 1.00
NCSTN Q92542 1/20 1.00
APH1A Q96BI3 1/20 1.00
PSENEN Q9NZ42 1/20 1.00

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
SCHEMBL29361890 1.00 BACE1 (1.00) BACE1BACE2PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL1973399 0.99 BACE1 (0.98) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL13194260 0.93 BACE1 (1.00) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL1975053 0.91 BACE1 (0.84) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL1975050 0.91 BACE1 (0.84) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL17169044 0.91 BACE1 (1.00) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL1979422 0.91 BACE1 (0.88) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL1974163 0.91 BACE1 (0.83) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL1974162 0.91 BACE1 (0.83) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL1974450 0.88 BACE1 (0.81) BACE1BACE2PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO claimed
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 claimed
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-07-13 US disclosed
US-11559528-B2 BACE1 inhibition for the treatment of cancer THE CLEVELAND CLINIC FOUNDATION (US) 2023-01-24 US disclosed
US-20210069205-A1 BACE1 INHIBITION FOR THE TREATMENT OF CANCER THE CLEVELAND CLINIC FOUNDATION 2021-03-11 US disclosed
WO-2014056816-A1 COMBINATION OF AN Aβ ANTIBODY AND A BACE INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO 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-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
WO-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
WO-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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 (4 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-11559528-B2 BACE1 inhibition for the treatment of cancer BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885PSEN1 6/4885
US-20210069205-A1 BACE1 INHIBITION FOR THE TREATMENT OF CANCER BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885PSEN1 6/4885
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION TNNI3, TNNT2, TNNC1 BACE1 5/4885BACE2 12/4885PSEN1 14/4885
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.