Sugi Predict

Sugi Predict / Compounds / SCHEMBL1173229

SCHEMBL1173229

SCHEMBL1173229

COc1ccc(C(NC2=NC(C)(c3cccc(Br)c3)COC2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 17/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ BACE2 Q9Y5Z0 2/20 0.38
▸ APP P05067 1/20 0.35
▸ RXFP1 Q9HBX9 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
SCHEMBL1173452 0.89 BACE1 (0.48) BACE1KCNH2BACE2
SCHEMBL1173453 0.89 BACE1 (0.48) BACE1KCNH2BACE2
SCHEMBL10321460 0.84 BACE1 (0.38) BACE1BACE2APP
SCHEMBL1173592 0.84 BACE1 (0.38) BACE1BACE2APP
SCHEMBL1173593 0.84 BACE1 (0.38) BACE1BACE2APP
SCHEMBL1173207 0.83 BACE1 (0.39) BACE1KCNH2BACE2
SCHEMBL1173361 0.77 BACE1 (0.41) BACE1BACE2
SCHEMBL1173365 0.77 BACE1 (0.41) BACE1BACE2
SCHEMBL2594466 0.77 BACE1 (0.41) BACE1BACE2
SCHEMBL2594469 0.77 BACE1 (0.41) BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242943-B2 1,4 oxazines as BACE1 and/or BACE2 inhibitors SIENA BIOTECH S.P.A. (IT) 2016-01-26 — — US disclosed
US-9242943-B2 1,4 oxazines as BACE1 and/or BACE2 inhibitors SIENA BIOTECH S.P.A. (IT) 2016-01-26 — — US disclosed
US-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2013-08-01 — — US disclosed
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES ANDREINI MATTEO (IT) 2012-08-23 — — US disclosed
WO-2012098064-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
US-20120184540-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-19 — — US disclosed
US-20120184540-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-19 — — US disclosed
US-8188079-B2 3-amino-5-phenyl-5,6-dihydro-2H-[1,4]oxazines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 — — US disclosed
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2011-02-24 — — 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 (4 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-20120184540-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 BACE1 2/4885KCNH2 3618/4885BACE2 1/4885
US-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP BACE1 2/4885KCNH2 3216/4885BACE2 1/4885
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP BACE1 2/4885KCNH2 2857/4885BACE2 1/4885
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP BACE1 2/4885KCNH2 2857/4885BACE2 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.