SCHEMBL3358009

SCHEMBL3358009

COc1ccc(C2(c3cccc(Br)c3)N=C(N)c3ncccc32)cc1C(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.36
BACE2 Q9Y5Z0 14/20 0.35
CTSD P07339 13/20 0.35
KCNH2 Q12809 5/20 0.35
REN P00797 2/20 0.32
NSD2 O96028 1/20 0.31
CASP6 P55212 1/20 0.31

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
SCHEMBL3361377 0.85 BACE1 (0.44) BACE1BACE2CTSDKCNH2REN
SCHEMBL3358081 0.84 BACE1 (0.53) BACE1BACE2CTSDKCNH2REN
SCHEMBL3359216 0.83 BACE1 (0.42) BACE1BACE2CTSDKCNH2REN
SCHEMBL3769867 0.83 BACE1 (0.49) BACE1BACE2CTSDKCNH2
SCHEMBL7939980 0.82 BACE1 (0.44) BACE1BACE2CTSDKCNH2REN
SCHEMBL3358026 0.82 BACE1 (0.37) BACE1BACE2CTSDKCNH2
SCHEMBL3359611 0.79 BACE1 (0.37) BACE1BACE2CTSDKCNH2
SCHEMBL3360019 0.78 BACE1 (0.33) BACE1BACE2CTSD
SCHEMBL3358905 0.78 BACE1 (0.34) BACE1BACE2CTSDKCNH2REN
SCHEMBL3359122 0.78 BACE1 (0.36) BACE1BACE2CTSDKCNH2

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
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

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 3/4885BACE2 10/4885CTSD 413/4885

“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.