SCHEMBL17679232

SCHEMBL17679232

COCCCC1(C)Cc2ccc(-c3cc(C#N)cc(OC)c3)cc2C12COC(N)=N2

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.63
BACE2 Q9Y5Z0 5/20 0.63
APP P05067 5/20 0.44
PGR P06401 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL17679233 1.00 BACE1 (0.63) BACE1BACE2APPPGRKCNH2
SCHEMBL17679186 0.95 BACE1 (0.65) BACE1BACE2APPPGRKCNH2
SCHEMBL17679227 0.79 BACE1 (0.69) BACE1BACE2APPPGRKCNH2
SCHEMBL19530424 0.77 BACE1 (1.00) BACE1BACE2APP
SCHEMBL17675280 0.77 BACE1 (0.46) BACE1KCNH2
SCHEMBL17679196 0.77 BACE1 (0.53) BACE1BACE2APPPGRKCNH2
SCHEMBL19530418 0.77 BACE1 (0.75) BACE1BACE2APP
SCHEMBL17679237 0.75 BACE1 (0.54) BACE1BACE2APPPGRKCNH2
SCHEMBL19530408 0.74 BACE1 (0.78) BACE1BACE2APP
SCHEMBL19530410 0.74 BACE1 (0.78) BACE1BACE2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053453-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-08-21 US claimed
US-10053453-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-08-21 US disclosed
US-20170313686-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2017-11-02 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-20170313686-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885APP 3/4885
US-10053453-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885APP 3/4885

“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.