SCHEMBL13834817

SCHEMBL13834817

COc1ccc(C(NC2=N[C@](C)(c3cc(Nc4ccccc4C#N)ccc3F)C(F)(F)C(C)(C)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 16/20 0.37
BACE1 P56817 11/20 0.37
ACP1 P24666 1/20 0.33

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
SCHEMBL13834819 1.00 BACE2 (0.37) BACE2BACE1ACP1
SCHEMBL13836273 0.89 BACE1 (0.39) BACE2BACE1ACP1
SCHEMBL13836374 0.89 BACE1 (0.40) BACE2BACE1ACP1
SCHEMBL13836275 0.89 BACE1 (0.39) BACE2BACE1ACP1
SCHEMBL13836380 0.89 BACE1 (0.40) BACE2BACE1ACP1
SCHEMBL13859183 0.89 ACP1 (0.33) BACE2BACE1ACP1
SCHEMBL13835606 0.88 MAPK14 (0.42) BACE2BACE1ACP1
SCHEMBL13836385 0.88 ACP1 (0.39) BACE2BACE1ACP1
SCHEMBL13835609 0.88 MAPK14 (0.42) BACE2BACE1ACP1
SCHEMBL13836389 0.88 ACP1 (0.39) BACE2BACE1ACP1

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-8785436-B2 1,3-oxazines as BACE 1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-07-22 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

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-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 BACE2 1/4885BACE1 2/4885ACP1 4183/4885

“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.