SCHEMBL3358485

SCHEMBL3358485

COc1ccc(C2(c3cccc(-c4cnccn4)c3)NC(N)c3ncccc32)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.43
BACE2 Q9Y5Z0 13/20 0.43
CTSD P07339 12/20 0.43
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
REN P00797 1/20 0.33
GCK P35557 1/20 0.33
KCNH2 Q12809 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HSD11B1 P28845 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
SCHEMBL3356554 0.89 BACE1 (0.45) BACE1BACE2CTSDRENKCNH2
SCHEMBL3359224 0.87 BACE1 (0.34) BACE1BACE2CTSDRENKCNH2
SCHEMBL3361382 0.83 CTSD (0.35) BACE1BACE2CTSDSLC6A4GCK
SCHEMBL3360622 0.80 BACE1 (0.35) BACE1BACE2CTSDRENKCNH2
SCHEMBL3359205 0.79 BACE1 (0.35) BACE1BACE2CTSD
SCHEMBL3243721 0.78 GCK (0.33) BACE1BACE2CTSDSLC6A4GCK
SCHEMBL3635544 0.78 BACE1 (0.53) BACE1BACE2CTSDKCNH2
SCHEMBL3358481 0.78 BACE1 (0.51) BACE1BACE2CTSDRENKCNH2
SCHEMBL3360050 0.78 BACE1 (0.35) BACE1BACE2CTSDHSD11B1
SCHEMBL3358088 0.76 BACE1 (0.40) BACE1BACE2CTSDRENKCNH2

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 4 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 claimed
US-20100125081-A1 NEW COMPOUNDS 574 ASTRAZENECA AB (SE) 2010-05-20 US claimed
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.