SCHEMBL13836385

SCHEMBL13836385

COc1ccc(C(NC2=N[C@](C)(c3cc(Nc4ccccc4Cl)ccc3F)C(F)(F)C(C)(C)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.39
MAPK14 Q16539 2/20 0.39
BACE2 Q9Y5Z0 13/20 0.38
BACE1 P56817 13/20 0.38
APP P05067 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
SCHEMBL13836389 1.00 ACP1 (0.39) ACP1MAPK14BACE2BACE1APP
SCHEMBL13836273 0.91 BACE1 (0.39) ACP1MAPK14BACE2BACE1
SCHEMBL13836275 0.91 BACE1 (0.39) ACP1MAPK14BACE2BACE1
SCHEMBL13836380 0.91 BACE1 (0.40) ACP1MAPK14BACE2BACE1
SCHEMBL13836374 0.91 BACE1 (0.40) ACP1MAPK14BACE2BACE1
SCHEMBL13835609 0.91 MAPK14 (0.42) ACP1MAPK14BACE2BACE1
SCHEMBL13835606 0.91 MAPK14 (0.42) ACP1MAPK14BACE2BACE1
SCHEMBL13834817 0.88 BACE2 (0.37) ACP1BACE2BACE1
SCHEMBL13834819 0.88 BACE2 (0.37) ACP1BACE2BACE1
SCHEMBL13859336 0.88 ACP1 (0.40) ACP1MAPK14BACE2BACE1APP

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 ACP1 4183/4885MAPK14 3601/4885BACE2 1/4885

“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.