SCHEMBL2884765

SCHEMBL2884765

C[C@@]1(c2cccc(N)c2)CC(=O)NC(N)=N1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.73
BACE2 Q9Y5Z0 1/20 0.41
CYP19A1 P11511 1/20 0.39
DDB1 Q16531 5/20 0.36
CRBN Q96SW2 5/20 0.36
CTSD P07339 1/20 0.34

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
SCHEMBL4151265 0.86 BACE1 (0.69) BACE1BACE2CTSD
SCHEMBL4142824 0.84 BACE1 (1.00) BACE1BACE2CYP19A1
SCHEMBL2884759 0.82 BACE1 (0.64) BACE1
SCHEMBL2884762 0.82 BACE1 (0.64) BACE1
SCHEMBL4146354 0.81 BACE1 (0.71) BACE1BACE2
SCHEMBL4152701 0.80 BACE1 (0.61) BACE1
SCHEMBL4151589 0.80 BACE1 (0.69) BACE1BACE2CYP19A1
SCHEMBL4142578 0.79 BACE1 (0.65) BACE1BACE2CTSD
SCHEMBL4139642 0.79 BACE1 (0.59) BACE1
SCHEMBL4149749 0.79 BACE1 (0.59) BACE1BACE2CTSD

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
US-8461160-B2 Dihydropyrimidinones HOFFMANN-LA ROCHE, INC. (US) 2013-06-11 US claimed
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 1/4885CYP19A1 426/4885

“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.