SCHEMBL13835689

SCHEMBL13835689

COc1ccc(C(NC2=NC(C)(c3cc(Nc4cccc(C(F)(F)F)n4)ccc3F)C(F)(F)C(C)(C)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.38
BACE2 Q9Y5Z0 11/20 0.38
APP P05067 1/20 0.33
SYK P43405 1/20 0.33
ACP1 P24666 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13835686 1.00 BACE1 (0.38) BACE1BACE2APPSYKACP1
SCHEMBL13859337 0.89 APP (0.34) BACE1BACE2APPSYKACP1
SCHEMBL13835606 0.86 MAPK14 (0.42) BACE1BACE2ACP1
SCHEMBL13835609 0.86 MAPK14 (0.42) BACE1BACE2ACP1
SCHEMBL13836273 0.84 BACE1 (0.39) BACE1BACE2ACP1LMNA
SCHEMBL13836275 0.84 BACE1 (0.39) BACE1BACE2ACP1LMNA
SCHEMBL13836374 0.84 BACE1 (0.40) BACE1BACE2ACP1
SCHEMBL13836380 0.84 BACE1 (0.40) BACE1BACE2ACP1
SCHEMBL13836389 0.83 ACP1 (0.39) BACE1BACE2APPACP1
SCHEMBL13836385 0.83 ACP1 (0.39) BACE1BACE2APPACP1

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 BACE1 2/4885BACE2 1/4885APP 4/4885

“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.