SCHEMBL22029323

SCHEMBL22029323

CN1C(=O)C(c2ccnc(C(F)F)c2)(c2ccc(O)c(-c3cccnc3F)c2)N=C1N

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.61
BACE2 Q9Y5Z0 19/20 0.61
CTSD P07339 17/20 0.61
REN P00797 1/20 0.56

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
SCHEMBL22029322 0.93 BACE1 (0.53) BACE1BACE2CTSDREN
SCHEMBL22028524 0.91 BACE1 (0.71) BACE1BACE2CTSDREN
SCHEMBL22029324 0.87 BACE1 (0.46) BACE1BACE2CTSDREN
SCHEMBL22029328 0.86 BACE1 (0.53) BACE1BACE2CTSDREN
SCHEMBL22026010 0.86 BACE1 (0.62) BACE1BACE2CTSDREN
SCHEMBL22026011 0.86 BACE1 (0.53) BACE1BACE2CTSDREN
SCHEMBL22025976 0.85 BACE1 (0.78) BACE1BACE2CTSD
SCHEMBL22029329 0.85 BACE1 (0.52) BACE1BACE2CTSD
SCHEMBL22029325 0.85 BACE1 (0.49) BACE1BACE2CTSD
SCHEMBL22028526 0.84 BACE1 (0.63) BACE1BACE2CTSDREN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165225-A1 BACE1 INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE NANTBIO, INC. (US) 2020-05-28 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-20200165225-A1 BACE1 INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN2 BACE1 1/4885BACE2 2/4885CTSD 79/4885

“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.