SCHEMBL3359201

SCHEMBL3359201

Cc1cc(C2(c3cccc(-c4cnccn4)c3)N=C(N)c3ncccc32)cc(C)c1OCF

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.44
BACE2 Q9Y5Z0 6/20 0.43
KCNH2 Q12809 14/20 0.41
CTSD P07339 2/20 0.41
REN P00797 1/20 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
SCHEMBL3360047 0.90 BACE1 (0.42) BACE1BACE2KCNH2CTSD
SCHEMBL3360616 0.89 BACE1 (0.49) BACE1BACE2KCNH2CTSDREN
SCHEMBL3359362 0.87 BACE1 (0.54) BACE1BACE2KCNH2
SCHEMBL3360850 0.83 BACE1 (0.38) BACE1BACE2KCNH2CTSD
SCHEMBL7941794 0.83 BACE1 (0.43) BACE1BACE2KCNH2CTSD
Trifluoroacetic Acid SCHEMBL3358486 0.83 BACE1 (0.44) BACE1BACE2KCNH2CTSDREN
SCHEMBL929364 0.81 BACE1 (0.47) BACE1BACE2KCNH2CTSDREN
SCHEMBL929366 0.81 BACE1 (0.47) BACE1BACE2KCNH2CTSDREN
SCHEMBL3358481 0.79 BACE1 (0.51) BACE1BACE2KCNH2CTSDREN
SCHEMBL3359216 0.78 BACE1 (0.42) BACE1BACE2KCNH2CTSDREN

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 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
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 10/4885KCNH2 4727/4885

“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.