SCHEMBL2084080

SCHEMBL2084080

COc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(NOC(=O)C(F)(F)F)c3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.45
CTSD P07339 6/20 0.45
CTSE P14091 1/20 0.45
KCNH2 Q12809 6/20 0.45
BACE2 Q9Y5Z0 5/20 0.41
ABCB1 P08183 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PDK2 Q15119 1/20 0.39
REN P00797 1/20 0.38

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
SCHEMBL2086316 0.92 BACE1 (0.54) BACE1CTSDKCNH2BACE2
SCHEMBL2084208 0.92 BACE1 (0.45) BACE1CTSDCTSEKCNH2BACE2
SCHEMBL2087055 0.91 BACE1 (0.49) BACE1CTSDKCNH2BACE2PDK2
SCHEMBL2085929 0.91 BACE1 (0.42) BACE1CTSDKCNH2BACE2PDK2
SCHEMBL2085002 0.90 BACE1 (0.51) BACE1CTSDKCNH2BACE2REN
SCHEMBL2085758 0.88 BACE1 (0.54) BACE1CTSDBACE2REN
SCHEMBL2084579 0.88 BACE1 (0.45) BACE1CTSDKCNH2BACE2CYP11B1
SCHEMBL2085924 0.87 BACE1 (0.47) BACE1CTSDKCNH2BACE2
SCHEMBL2083839 0.84 BACE1 (0.59) BACE1CTSDKCNH2BACE2PDK2
SCHEMBL2085935 0.83 BACE1 (0.41) BACE1CTSDKCNH2BACE2REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 US claimed
EP-2035378-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2009-03-18 EP claimed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 US claimed
WO-2007149033-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2007-12-27 WO claimed
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
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
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 1916/4885CTSE 1603/4885
US-20080171771-A1 New Compounds 391 PSEN2, PSEN1, MAPT BACE1 4/4885CTSD 1715/4885CTSE 1324/4885

“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.