SCHEMBL13879671

SCHEMBL13879671

COc1cccc(-c2cccc(CCC3(C)CC(=O)N(C)C(N)=N3)c2)n1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.73

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
Hydrochloric Acid SCHEMBL4278589 0.99 BACE1 (0.72) BACE1
SCHEMBL2381538 0.84 BACE1 (1.00) BACE1
SCHEMBL908174 0.84 BACE1 (1.00) BACE1
SCHEMBL4137250 0.83 BACE1 (0.87) BACE1
SCHEMBL4142180 0.83 BACE1 (0.90) BACE1
SCHEMBL4143303 0.83 BACE1 (1.00) BACE1
SCHEMBL27702187 0.83 BACE1 (0.76) BACE1
SCHEMBL4159486 0.83 BACE1 (0.79) BACE1
SCHEMBL4137587 0.81 BACE1 (0.84) BACE1
SCHEMBL27742935 0.80 BACE1 (0.47) 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-20090099217-A1 2-Aminopyrimidin-4-Ones And Their Use For Treating Or Preventing Alpha Beta-Related Pathologies ASTEX THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
US-20090099217-A1 2-Aminopyrimidin-4-Ones And Their Use For Treating Or Preventing Alpha Beta-Related Pathologies ASTEX THERAPEUTICS LTD. (GB) 2009-04-16 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-20090099217-A1 2-Aminopyrimidin-4-Ones And Their Use For Treating Or Preventing Alpha Beta-Related Pathologies PSEN2, APP, PSEN1 BACE1 4/4885

“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.