SCHEMBL3357666

SCHEMBL3357666

COc1c(C)cc(C2(c3cccc(Br)c3)N=C(N)c3ncccc32)cc1F

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.44
KCNH2 Q12809 10/20 0.44
BACE2 Q9Y5Z0 8/20 0.40
CTSD P07339 4/20 0.35
REN P00797 1/20 0.34

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
SCHEMBL932097 0.88 BACE1 (0.39) BACE1KCNH2BACE2CTSDREN
SCHEMBL3359611 0.87 BACE1 (0.37) BACE1KCNH2BACE2CTSD
SCHEMBL3360850 0.86 BACE1 (0.38) BACE1KCNH2BACE2CTSD
SCHEMBL3359122 0.85 BACE1 (0.36) BACE1KCNH2BACE2CTSD
SCHEMBL3357857 0.84 BACE1 (0.62) BACE1KCNH2BACE2
SCHEMBL3360616 0.83 BACE1 (0.49) BACE1KCNH2BACE2CTSDREN
SCHEMBL3359171 0.83 BACE1 (0.51) BACE1KCNH2BACE2CTSD
SCHEMBL3358912 0.82 BACE1 (0.36) BACE1KCNH2BACE2CTSDREN
SCHEMBL3769867 0.81 BACE1 (0.49) BACE1KCNH2BACE2CTSD
SCHEMBL930773 0.81 BACE1 (0.39) BACE1KCNH2BACE2CTSDREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
WO-2010056194-A1 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 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-20100125081-A1 NEW COMPOUNDS 574 PSEN1, PSEN2, BACE1 BACE1 3/4885KCNH2 4727/4885BACE2 10/4885

“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.