SCHEMBL7550187

SCHEMBL7550187

CN1C(=N)NC(C)(c2ncc(-c3cncc(C#N)c3)s2)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.39
CHEK1 O14757 2/20 0.37
BACE2 Q9Y5Z0 5/20 0.36

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
SCHEMBL8191671 1.00 BACE1 (0.39) BACE1CHEK1BACE2
SCHEMBL4549204 0.90 BACE1 (0.39) BACE1
SCHEMBL4549197 0.90 BACE1 (0.50) BACE1BACE2
SCHEMBL7566391 0.88 BACE1 (0.49) BACE1BACE2
SCHEMBL7601623 0.87 BACE1 (0.35) BACE1
SCHEMBL7600831 0.87 BACE1 (0.37) BACE1
SCHEMBL2965360 0.87 PGR (0.37) BACE1
SCHEMBL2965359 0.87 PGR (0.37) BACE1
SCHEMBL4557056 0.86 BACE1 (0.35) BACE1BACE2
SCHEMBL14105702 0.85 BACE1 (0.33) BACE1

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-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 BACE1 8/4885CHEK1 2217/4885BACE2 30/4885

“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.