SCHEMBL15524741

SCHEMBL15524741

N#Cc1ccc(C(=O)Nc2ccc(F)c(C3(C(F)F)CCOC(N)=N3)c2)nc1

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 6/20 0.76
PSEN1 P49768 1/20 0.65
PSEN2 P49810 1/20 0.65
APH1B Q8WW43 1/20 0.65
NCSTN Q92542 1/20 0.65
APH1A Q96BI3 1/20 0.65
PSENEN Q9NZ42 1/20 0.65

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
SCHEMBL15705105 1.00 BACE1 (1.00) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL14240115 1.00 BACE1 (1.00) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL18379293 0.95 BACE1 (0.91) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL17119153 0.95 BACE1 (0.91) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL17119115 0.92 BACE1 (0.84) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL17119091 0.89 BACE1 (0.79) BACE1BACE2
SCHEMBL17119087 0.89 BACE1 (0.79) BACE1BACE2
SCHEMBL6936952 0.88 BACE1 (1.00) BACE1
SCHEMBL17119148 0.87 BACE1 (0.77) BACE1BACE2
SCHEMBL15704688 0.86 BACE1 (0.76) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987255-B2 Halogen-alkyl-1,3 oxazines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2015-03-24 US claimed
US-20140080819-A1 HALOGEN-ALKYL-1,3 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-03-20 US claimed
US-8987255-B2 Halogen-alkyl-1,3 oxazines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2015-03-24 US disclosed
US-20140080819-A1 HALOGEN-ALKYL-1,3 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-03-20 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 (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-20140080819-A1 HALOGEN-ALKYL-1,3 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, APP BACE1 2/4885BACE2 1/4885PSEN1 5/4885

“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.