SCHEMBL2884694

SCHEMBL2884694

C[C@H]1C(=O)N(C)C(N)=N[C@]1(C)c1cccc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.41
BACE2 Q9Y5Z0 5/20 0.41
APP P05067 2/20 0.41
REN P00797 1/20 0.41
CTSD P07339 2/20 0.40
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40

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
SCHEMBL2893137 0.86 BACE1 (0.39) BACE1BACE2APPRENCTSD
SCHEMBL2884689 0.84 BACE1 (0.40) BACE1BACE2APPRENCTSD
SCHEMBL2884692 0.84 BACE1 (0.40) BACE1BACE2APPRENCTSD
SCHEMBL28794461 0.83 BACE1 (0.41) BACE1CTSD
SCHEMBL2890508 0.76 BACE1 (0.40) BACE1BACE2PRMT5WDR77
SCHEMBL2884760 0.72 BACE1 (0.51) BACE1BACE2APPRENCTSD
SCHEMBL2888620 0.71 BACE1 (0.74) BACE1CTSD
SCHEMBL2893136 0.71 OPRM1 (0.38) BACE1BACE2APPRENCTSD
SCHEMBL2893135 0.71 OPRM1 (0.38) BACE1BACE2APPRENCTSD
SCHEMBL2884672 0.66 BACE1 (0.51) BACE1BACE2APPREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US claimed
US-8461160-B2 Dihydropyrimidinones HOFFMANN-LA ROCHE, INC. (US) 2013-06-11 US disclosed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO 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 1/4885APP 5/4885

“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.