SCHEMBL3554377

SCHEMBL3554377

COc1ccc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)c3ccccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.66
CTSD P07339 17/20 0.66
BACE2 Q9Y5Z0 15/20 0.66
KCNH2 Q12809 2/20 0.54
REN P00797 2/20 0.49

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
Trifluoroacetic Acid SCHEMBL2085756 0.92 BACE1 (0.60) BACE1CTSDBACE2KCNH2REN
SCHEMBL3640265 0.91 BACE1 (0.65) BACE1CTSDBACE2KCNH2REN
SCHEMBL3549215 0.88 BACE1 (0.54) BACE1CTSDBACE2KCNH2REN
SCHEMBL3549272 0.87 BACE1 (0.68) BACE1CTSDBACE2KCNH2REN
SCHEMBL2087739 0.87 BACE1 (0.51) BACE1CTSDBACE2KCNH2
SCHEMBL2087779 0.87 BACE1 (0.58) BACE1CTSDBACE2KCNH2
SCHEMBL3557028 0.86 BACE1 (0.67) BACE1CTSDBACE2KCNH2REN
SCHEMBL4003811 0.85 BACE1 (0.52) BACE1CTSDBACE2KCNH2REN
SCHEMBL2085288 0.85 BACE1 (0.55) BACE1CTSDBACE2KCNH2REN
SCHEMBL4001441 0.84 BACE1 (0.51) BACE1CTSDBACE2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 US claimed
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 US disclosed
US-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 US disclosed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2007149033-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2007-12-27 WO 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-20110059992-A1 New Compounds MAPT, PSEN2, PSEN1 BACE1 5/4885CTSD 1916/4885BACE2 18/4885
US-20080171771-A1 New Compounds 391 PSEN2, PSEN1, MAPT BACE1 4/4885CTSD 1715/4885BACE2 15/4885

“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.