SCHEMBL11894445

SCHEMBL11894445

CC(C)(C)OC(=O)NC1=NC(C)(c2cccc(-c3cccnc3F)c2)COC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.44
CTSD P07339 10/20 0.42
RAF1 P04049 3/20 0.39
BRAF P15056 3/20 0.39
BACE2 Q9Y5Z0 9/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL11894446 1.00 BACE1 (0.44) BACE1CTSDRAF1BRAFBACE2
SCHEMBL11894662 0.88 BACE1 (0.38) BACE1RAF1BRAFBACE2KCNH2
SCHEMBL11894660 0.88 BACE1 (0.38) BACE1RAF1BRAFBACE2KCNH2
SCHEMBL11894520 0.83 BACE1 (0.44) BACE1CTSDRAF1BRAFBACE2
SCHEMBL14768339 0.82 BACE1 (0.48) BACE1KCNH2
SCHEMBL14768340 0.82 BACE1 (0.48) BACE1KCNH2
SCHEMBL11894363 0.80 BACE1 (0.47) BACE1
SCHEMBL362220 0.80 BACE1 (0.46) BACE1
SCHEMBL363017 0.80 BACE1 (0.47) BACE1
Trifluoroacetic Acid SCHEMBL11894192 0.77 BACE1 (0.57) BACE1CTSDKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399459-B2 1,4 oxazines as BACE1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-03-19 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

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-20120196863-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 BACE1 2/4885CTSD 337/4885RAF1 3693/4885

“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.