SCHEMBL10187478

SCHEMBL10187478

COc1ccc(C2C(=O)N(C)C(=N)N[C@]2(C)c2cc(-c3cncc(C)c3)cs2)cn1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.34
BACE1 P56817 2/20 0.33
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL8201323 0.91 TOP1 (0.34) TOP1BACE1
SCHEMBL7601812 0.91 TOP1 (0.34) TOP1BACE1
SCHEMBL7564935 0.91 TOP1 (0.35) TOP1
SCHEMBL12191104 0.91 TOP1 (0.35) TOP1
SCHEMBL4549199 0.91 BACE1 (0.45) TOP1BACE1
SCHEMBL4556859 0.89 BACE1 (0.33) BACE1
SCHEMBL7603064 0.89 BACE1 (0.36) TOP1BACE1
SCHEMBL8437171 0.85 BACE1 (0.33) BACE1
SCHEMBL7569997 0.85 BACE1 (0.35) BACE1
SCHEMBL7566022 0.84 TOP1 (0.32) TOP1BACE1

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-20120232064-A1 ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2012-09-13 US disclosed
US-8168641-B2 Aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-01 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-20120232064-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 TOP1 1620/4885BACE1 3/4885PDE2A 2280/4885

“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.