SCHEMBL296594

SCHEMBL296594

COc1ccc(C(=O)Nc2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)nc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.81
BACE2 Q9Y5Z0 1/20 0.51

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
SCHEMBL7941952 1.00 BACE1 (0.81) BACE1BACE2
SCHEMBL7941740 0.91 BACE1 (0.82) BACE1
SCHEMBL7942543 0.91 BACE1 (0.76) BACE1BACE2
SCHEMBL7942920 0.91 BACE1 (0.75) BACE1
SCHEMBL7945122 0.90 BACE1 (0.74) BACE1BACE2
SCHEMBL7943924 0.89 BACE1 (1.00) BACE1BACE2
SCHEMBL7944613 0.89 BACE1 (0.73) BACE1
SCHEMBL297893 0.88 BACE1 (0.72) BACE1BACE2
SCHEMBL297186 0.88 BACE1 (1.00) BACE1
SCHEMBL7940234 0.88 BACE1 (0.83) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427437-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP claimed
US-8461160-B2 Dihydropyrimidinones HOFFMANN-LA ROCHE, INC. (US) 2013-06-11 US disclosed
US-8461160-B2 Dihydropyrimidinones HOFFMANN-LA ROCHE, INC. (US) 2013-06-11 US disclosed
EP-2427437-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US disclosed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 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-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 BACE1 2/4885BACE2 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.