SCHEMBL20378593

SCHEMBL20378593

CC#Cc1ccc2[nH]c(C3(C)CC(=O)N(C)C(=N)N3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
CTSD P07339 2/20 0.35

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
SCHEMBL18180793 1.00 BACE1 (0.42) BACE1BACE2CTSD
SCHEMBL18180798 0.81 BACE1 (0.33) BACE1BACE2CTSD
SCHEMBL20378648 0.81 BACE1 (0.33) BACE1BACE2CTSD
SCHEMBL7601873 0.81 HRH4 (0.37)
SCHEMBL18180795 0.78 BACE1 (0.63) BACE1BACE2CTSD
SCHEMBL20378567 0.78 BACE1 (0.63) BACE1BACE2CTSD
SCHEMBL18180617 0.78 BACE1 (0.43) BACE1BACE2CTSD
SCHEMBL20378647 0.78 BACE1 (0.43) BACE1BACE2CTSD
SCHEMBL18180746 0.76 BACE1 (0.38) BACE1BACE2CTSD
SCHEMBL20378538 0.76 BACE1 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870635-B2 Compounds and their use as BACE1 inhibitors ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2020-12-22 US disclosed
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2018-07-19 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 (2 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-10870635-B2 Compounds and their use as BACE1 inhibitors BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 182/4885
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 176/4885

“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.