SCHEMBL13054343

SCHEMBL13054343

CN1C(=N)N[C@](C)(c2cc(-c3cccnc3F)cs2)[C@H](C2CC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.38
CTSD P07339 13/20 0.38
BACE2 Q9Y5Z0 6/20 0.35
CTSB P07858 2/20 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
SCHEMBL7555722 1.00 BACE1 (0.38) BACE1CTSDBACE2CTSB
SCHEMBL14106175 0.86 BACE1 (0.37) BACE1CTSDBACE2CTSB
SCHEMBL8195728 0.84 BACE1 (0.34) BACE1CTSD
SCHEMBL7546899 0.83 CDC7 (0.34) BACE1CTSD
SCHEMBL8197671 0.83 CDC7 (0.34) BACE1CTSD
SCHEMBL7546257 0.83 DYRK1A (0.38) BACE1CTSDBACE2
SCHEMBL7572770 0.83 DYRK1A (0.38) BACE1CTSDBACE2
SCHEMBL7562854 0.82 SYK (0.34) BACE1
SCHEMBL7572880 0.82 SYK (0.34) BACE1
SCHEMBL7555988 0.81 BACE1 (0.32) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
WO-2008103351-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2008-08-28 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 BACE1 8/4885CTSD 13/4885BACE2 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.