SCHEMBL287609

SCHEMBL287609

CN1C(=O)C(C)(C)[C@@](C)(c2cc(N)ccc2Cl)N=C1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.44
BACE2 Q9Y5Z0 11/20 0.38
MAPKAPK2 P49137 2/20 0.35
CTSD P07339 1/20 0.34
NR1H2 P55055 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL287610 1.00 BACE1 (0.44) BACE1BACE2MAPKAPK2CTSDNR1H2
SCHEMBL287319 0.88 BACE2 (0.50) BACE1BACE2
SCHEMBL287318 0.88 BACE2 (0.50) BACE1BACE2
SCHEMBL286691 0.82 BACE1 (0.43) BACE1BACE2MAPKAPK2
SCHEMBL286692 0.82 BACE1 (0.43) BACE1BACE2MAPKAPK2
SCHEMBL569377 0.78 BACE1 (0.51) BACE1BACE2CTSD
SCHEMBL569376 0.78 BACE1 (0.51) BACE1BACE2CTSD
SCHEMBL568040 0.77 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL568041 0.77 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL287036 0.74 BACE2 (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1/4885MAPKAPK2 1150/4885

“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.