SCHEMBL2084836

SCHEMBL2084836

COc1ccc(C2(c3ccc(F)c(Br)c3)N=C(N)c3ccccc32)cc1C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.46
CTSD P07339 8/20 0.46
BACE2 Q9Y5Z0 8/20 0.46
REN P00797 4/20 0.46
CHRM5 P08912 3/20 0.39
KCNH2 Q12809 3/20 0.37

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
SCHEMBL27750729 0.88 BACE1 (0.37) BACE1CTSDBACE2RENCHRM5
SCHEMBL2086072 0.86 BACE1 (0.49) BACE1CTSDBACE2CHRM5KCNH2
SCHEMBL12785481 0.85 BACE1 (0.43) BACE1CTSDBACE2RENKCNH2
SCHEMBL2086155 0.84 BACE1 (0.46) BACE1CTSDBACE2CHRM5KCNH2
SCHEMBL2086695 0.83 BACE1 (0.64) BACE1CTSDBACE2RENKCNH2
SCHEMBL2086604 0.83 BACE1 (0.67) BACE1CTSDBACE2RENCHRM5
SCHEMBL2084875 0.80 BACE1 (0.43) BACE1BACE2KCNH2
SCHEMBL2086162 0.80 BACE1 (0.57) BACE1CTSDBACE2KCNH2
Trifluoroacetic Acid SCHEMBL2085829 0.79 BACE1 (0.41) BACE1CTSDBACE2RENCHRM5
SCHEMBL3549272 0.78 BACE1 (0.68) BACE1CTSDBACE2RENKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 US disclosed
EP-2035378-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2009-03-18 EP 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
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
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.