SCHEMBL22025985

SCHEMBL22025985

CN1C(=O)C(c2cccc(-c3cnccn3)c2)(c2ccnc(C(F)F)c2)N=C1N

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.77
BACE2 Q9Y5Z0 12/20 0.77
CTSD P07339 6/20 0.69

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
SCHEMBL22025731 0.89 BACE1 (0.76) BACE1BACE2CTSD
SCHEMBL22025727 0.89 BACE1 (0.75) BACE1BACE2CTSD
SCHEMBL4315203 0.87 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL22025990 0.87 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL20625549 0.87 BACE1 (0.84) BACE1BACE2CTSD
SCHEMBL4311669 0.87 BACE1 (0.83) BACE1BACE2CTSD
SCHEMBL22025732 0.86 BACE1 (0.71) BACE1BACE2CTSD
SCHEMBL22025982 0.85 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL22028523 0.85 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL22028522 0.85 BACE1 (0.59) BACE1BACE2CTSD

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.