SCHEMBL7515813

SCHEMBL7515813

CN1CC(=S)NC(C)(c2cccc(-c3cncnc3)c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.45
BACE2 Q9Y5Z0 17/20 0.45
CTSD P07339 11/20 0.45
REN P00797 1/20 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
SCHEMBL7516021 0.88 BACE1 (0.47) BACE1BACE2CTSDREN
SCHEMBL7515323 0.79 KMT2A (0.43) BACE1CTSD
SCHEMBL875136 0.78 BACE1 (0.42) BACE1BACE2CTSD
SCHEMBL12067685 0.77 CYP11B1 (0.44) BACE1BACE2CTSD
SCHEMBL7518539 0.76 KDM1A (0.41)
SCHEMBL14800027 0.74 BACE1 (0.53) BACE1BACE2CTSD
SCHEMBL877425 0.72 BACE1 (0.43) BACE1BACE2CTSD
SCHEMBL7556265 0.69 BACE1 (0.47) BACE1BACE2CTSDREN
SCHEMBL23190456 0.68 BACE1 (0.72) BACE1BACE2CTSDREN
SCHEMBL7543743 0.68 BACE1 (0.46) 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
EP-2588466-B1 5-Amino-3,6-dihydro-1H-pyrazin-2-one derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2014-03-19 EP disclosed
EP-2588466-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) Janssen Pharmaceutica, N.V. (BE) 2013-05-08 EP disclosed
US-20130079349-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-03-28 US disclosed
US-20130079349-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-03-28 US disclosed
US-20130079349-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2013-03-28 US disclosed
WO-2011154374-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 WO 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-20130079349-A1 5-AMINO-3,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 BACE1 2/4885BACE2 1/4885CTSD 257/4885

“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.