SCHEMBL287173

SCHEMBL287173

CN1C(=O)C(C)(C)[C@@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C1N

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 12/20 0.68
BACE1 P56817 14/20 0.67
CTSD P07339 1/20 0.60

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
SCHEMBL286784 0.93 BACE2 (0.68) BACE2BACE1
SCHEMBL287266 0.92 BACE2 (0.70) BACE2BACE1
SCHEMBL287185 0.91 BACE1 (0.65) BACE2BACE1
SCHEMBL286693 0.91 BACE2 (0.68) BACE2BACE1
SCHEMBL287049 0.89 BACE1 (0.69) BACE2BACE1
SCHEMBL286770 0.89 BACE2 (0.69) BACE2BACE1
SCHEMBL286881 0.88 BACE2 (0.70) BACE2BACE1
SCHEMBL13028348 0.88 BACE2 (0.63) BACE2BACE1
SCHEMBL297166 0.88 BACE2 (0.65) BACE2BACE1CTSD
SCHEMBL286894 0.88 BACE2 (0.69) BACE2BACE1

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 BACE2 1/4885BACE1 2/4885CTSD 188/4885

“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.