SCHEMBL8245196

SCHEMBL8245196

C[C@@]1(c2cc(Br)cs2)CC2=NCCN2C(=N)N1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 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
SCHEMBL8246383 0.93 BACE1 (0.34) BACE1
SCHEMBL8246355 0.77 BACE1 (0.53) BACE1
SCHEMBL7547537 0.74 BACE1 (0.33) BACE1
SCHEMBL8238694 0.74 BACE1 (0.31) BACE1
SCHEMBL14112237 0.74 BACE1 (0.31) BACE1
SCHEMBL8245204 0.74 BACE1 (0.32) BACE1
SCHEMBL8246380 0.68 BACE1 (0.31) BACE1
SCHEMBL7543400 0.68 BACE1 (0.32) BACE1
SCHEMBL13759871 0.68 HCAR3 (0.34) BACE1
SCHEMBL8248668 0.68 BACE1 (0.31) BACE1

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-9382242-B2 Preparation and use of compounds as protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382242-B2 Preparation and use of compounds as protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-20140206715-A1 PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS PHARMACOPEIA, LLC 2014-07-24 US disclosed
US-20140206715-A1 PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS PHARMACOPEIA, LLC 2014-07-24 US disclosed
US-8722708-B2 Substituted isoindolines as aspartyl protease inhibitors Merck Sharp & Dohme Inc. (US) 2014-05-13 US disclosed
US-8722708-B2 Substituted isoindolines as aspartyl protease inhibitors Merck Sharp & Dohme Inc. (US) 2014-05-13 US disclosed
EP-2345411-B1 Heterocyclic aspartyl protease inhibitors, preparation and use thereof MERCK SHARP & DOHME (US) 2013-10-02 EP disclosed
EP-1896032-B1 THE PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2012-10-31 EP disclosed
EP-2345411-A1 Heterocyclic aspartyl protease inhibitors, preparation and use thereof Schering Corporation (US) 2011-07-20 EP disclosed
US-20080176868-A1 pyrrole/pyrimidine-2-imine fused ring derivatives; aspartyl proteases, beta-secretase inhibitor; cardiovascular diseases, cognitive and neurodegenerative diseases such as Alzheimer's, Human Immunodeficiency Virus, plasmepins, cathepsin D and protozoal enzymes SCHERING CORPORATION 2008-07-24 US disclosed
US-20080176868-A1 pyrrole/pyrimidine-2-imine fused ring derivatives; aspartyl proteases, beta-secretase inhibitor; cardiovascular diseases, cognitive and neurodegenerative diseases such as Alzheimer's, Human Immunodeficiency Virus, plasmepins, cathepsin D and protozoal enzymes SCHERING CORPORATION 2008-07-24 US disclosed
WO-2006138265-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS, PREPARATION AND USE THEREOF SCHERING CORPORATION (US) 2006-12-28 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-20140206715-A1 PREPARATION AND USE OF COMPOUNDS AS PROTEASE INHIBITORS CTRL, BACE1, PRSS1 BACE1 2/4885
US-20080176868-A1 pyrrole/pyrimidine-2-imine fused ring derivatives; aspartyl proteases, beta-secretase inhibitor; cardiovascular diseases, cognitive and neurodegenerative diseases such as Alzheimer's, Human Immunodeficiency Virus, plasmepins, cathepsin D and protozoal enzymes BACE1, CTSL, CPN1 BACE1 1/4885

“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.