SCHEMBL1659533

SCHEMBL1659533

COc1ccc(C(Cc2ccccc2)c2cccc(N)n2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.48
BACE1 P56817 2/20 0.46
PDE4D Q08499 2/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
KMT2A Q03164 1/20 0.41

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
SCHEMBL8262366 0.87 BACE1 (0.42) PDE4ABACE1PDE4DPDE4BPDE4C
SCHEMBL1656659 0.83 BACE1 (0.65) BACE1KMT2A
SCHEMBL8262899 0.79 SLC6A2 (0.49) BACE1
SCHEMBL8262906 0.79 BACE1 (0.60) BACE1KMT2A
SCHEMBL3827344 0.79 PDE4A (0.47) PDE4APDE4DPDE4BPDE4C
SCHEMBL8264233 0.75 BACE1 (0.55) BACE1KMT2A
SCHEMBL12730424 0.75 BACE1 (0.42) BACE1
SCHEMBL8262904 0.74 BACE1 (0.52) BACE1KMT2A
SCHEMBL7039951 0.74 CYP1A2 (0.51) PDE4AKMT2A
SCHEMBL7037469 0.74 CYP1A2 (0.51) PDE4AKMT2A

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
EP-1807396-B1 2-AMINOPYRIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2013-06-26 EP disclosed
EP-1807396-B1 2-AMINOPYRIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2013-06-26 EP disclosed
US-7932275-B2 Suppressing production of amyloid beta Merck, Sharp & Dohme Corp. (US) 2011-04-26 US disclosed
US-7932275-B2 Suppressing production of amyloid beta Merck, Sharp & Dohme Corp. (US) 2011-04-26 US disclosed
US-7932275-B2 Suppressing production of amyloid beta Merck, Sharp & Dohme Corp. (US) 2011-04-26 US disclosed
EP-1807396-A4 2-AMINOPYRIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO INC (US) 2009-09-09 EP disclosed
US-20080161363-A1 2-Aminopyridine Compounds Useful as Beta-Secretase Inhibitors For the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2008-07-03 US disclosed
US-20080161363-A1 2-Aminopyridine Compounds Useful as Beta-Secretase Inhibitors For the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2008-07-03 US disclosed
US-20080161363-A1 2-Aminopyridine Compounds Useful as Beta-Secretase Inhibitors For the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2008-07-03 US disclosed
EP-1807396-A1 2-AMINOPYRIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2007-07-18 EP disclosed
WO-2006060109-A1 2-AMINOPYRIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2006-06-08 WO disclosed
WO-2006060109-A1 2-AMINOPYRIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2006-06-08 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 (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-20080161363-A1 2-Aminopyridine Compounds Useful as Beta-Secretase Inhibitors For the Treatment of Alzheimer's Disease BACE1, BACE2, APP PDE4A 569/4885BACE1 1/4885PDE4D 498/4885

“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.