SCHEMBL2084579

SCHEMBL2084579

COc1cncc(-c2cccc(C3(c4ccncc4)N=C(NOC(=O)C(F)(F)F)c4ccccc43)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.45
KCNH2 Q12809 8/20 0.45
BACE2 Q9Y5Z0 6/20 0.41
CTSD P07339 3/20 0.41
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL2084208 0.94 BACE1 (0.45) BACE1KCNH2BACE2CTSDCYP11B1
SCHEMBL2085924 0.93 BACE1 (0.47) BACE1KCNH2BACE2CTSD
SCHEMBL2085935 0.89 BACE1 (0.41) BACE1KCNH2BACE2CTSD
SCHEMBL2083839 0.88 BACE1 (0.59) BACE1KCNH2BACE2CTSD
SCHEMBL2087055 0.88 BACE1 (0.49) BACE1KCNH2BACE2CTSD
SCHEMBL2084080 0.88 BACE1 (0.45) BACE1KCNH2BACE2CTSDCYP11B1
SCHEMBL2086316 0.87 BACE1 (0.54) BACE1KCNH2BACE2CTSD
SCHEMBL2085929 0.86 BACE1 (0.42) BACE1KCNH2BACE2CTSD
Trifluoroacetic Acid SCHEMBL2084578 0.83 BACE1 (0.60) BACE1KCNH2BACE2CTSD
SCHEMBL2084200 0.81 BACE1 (0.49) BACE1KCNH2BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 US claimed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 US 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 5/4885KCNH2 3126/4885BACE2 18/4885
US-20080171771-A1 New Compounds 391 PSEN2, PSEN1, MAPT BACE1 4/4885KCNH2 2710/4885BACE2 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.