SCHEMBL22028575

SCHEMBL22028575

Cc1ncc(-c2ccc(F)c(C3(c4ccnc(C(F)(F)F)c4)N=C(N)N(C)C3=O)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.47
BACE2 Q9Y5Z0 13/20 0.47
CTSD P07339 8/20 0.46
KCNH2 Q12809 1/20 0.43

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
SCHEMBL22028579 0.94 BACE1 (0.47) BACE1BACE2CTSDKCNH2
SCHEMBL22026007 0.90 BACE1 (0.51) BACE1BACE2CTSD
SCHEMBL22026004 0.88 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL22026000 0.86 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL22028574 0.86 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL22028576 0.86 BACE1 (0.45) BACE1BACE2CTSD
SCHEMBL22026001 0.85 BACE1 (0.52) BACE1BACE2CTSDKCNH2
SCHEMBL22025740 0.85 BACE1 (0.51) BACE1BACE2CTSDKCNH2
SCHEMBL22028577 0.85 BACE1 (0.46) BACE1BACE2CTSD
SCHEMBL22028581 0.84 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.