SCHEMBL1973403

SCHEMBL1973403

CC1(C)OC(N)=N[C@](C)(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)C1(F)F

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.80
BACE2 Q9Y5Z0 4/20 0.74
PSEN1 P49768 1/20 0.74
PSEN2 P49810 1/20 0.74
APH1B Q8WW43 1/20 0.74
NCSTN Q92542 1/20 0.74
APH1A Q96BI3 1/20 0.74
PSENEN Q9NZ42 1/20 0.74

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
SCHEMBL15265060 0.89 BACE1 (1.00) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL15264967 0.89 BACE1 (1.00) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL15264982 0.89 BACE1 (1.00) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL1974524 0.88 BACE1 (0.73) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL1974526 0.88 BACE1 (0.73) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL1975509 0.88 BACE1 (0.79) BACE1BACE2
Hydrochloric Acid SCHEMBL1975964 0.88 BACE1 (0.72) BACE1BACE2PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL1976591 0.88 BACE1 (0.72) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL2591331 0.87 BACE1 (0.77) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL2591336 0.87 BACE1 (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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

For each of this compound's patents that has machine-readable text (1 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-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.