SCHEMBL931865

SCHEMBL931865

CC#Cc1cncc(B(O)O)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.32
PARP1 P09874 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
CYP2A6 P11509 1/20 0.30
BACE1 P56817 3/20 0.30
CTSD P07339 1/20 0.30
KCNH2 Q12809 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL29955816 1.00 ENPP2 (0.32) ENPP2PARP1PRMT5WDR77EGLN1
SCHEMBL29952025 0.90 PRMT5 (0.39) PRMT5WDR77CYP2A6BACE1CTSD
SCHEMBL29957892 0.81 GRM5 (0.31) ENPP2GRM5
SCHEMBL9948434 0.80 GRM5 (0.35) ENPP2CYP2A6GRM5
SCHEMBL5742874 0.79 GRM5 (0.38) PARP1PRMT5WDR77EGLN1CYP2A6
SCHEMBL248711 0.76 ENPP2 (0.52) ENPP2
SCHEMBL15957833 0.74 GRM5 (0.40) PRMT5WDR77CYP2A6GRM5
SCHEMBL2381674 0.74
SCHEMBL28967087 0.73 ENPP2 (0.36) ENPP2
SCHEMBL21518938 0.73 GRM5 (0.38) PARP1GRM5

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 160 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3064494-A1 A PROCESS FOR THE PREPARATION OF A CAMSYLATE SALT ((1S)-(+)-10 CAMPHORSULFONIC ACID) OF (1R,1'R,4R)- 4-METHOXY-5\"-METHYL-6'-[5-(PROP-1-YN-1-YL)PYRIDIN- 3-YL]-3'H-DISPIRO[CYCLOHEXANE-1,2'-INDEN-1'2'-IMIDAZOLE]-4\"-AMINE AstraZeneca AB (SE) 2016-09-07 EP claimed
US-10548882-B2 Camsylate salt ASTRAZENECA AB (SE) 2020-02-04 US disclosed
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 EP disclosed
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 EP disclosed
EP-2961749-B1 PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC (US) 2019-10-09 EP disclosed
US-20190262327-A1 COMBINATION OF A BACE INHIBITOR AND AN ANTIBODY OR ANTIGEN-BINDING FRAGMENT FOR THE TREATMENT OF A DISORDER ASSOCIATED WITH THE ACCUMULATION OF AMYLOID BETA ASTRAZENECA AB (SE) 2019-08-29 US disclosed
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 US disclosed
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 US disclosed
EP-1891021-B1 ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-01-23 EP disclosed
US-10053453-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-08-21 US disclosed
WO-2011002409-A1 5H-PYRROLO[3,4-£>]PYRAZIN-7-AMINE DERIVATIVES INHIBITORS OF BETA-SECRETASE ASTRAZENECA AB (SE) 2011-01-06 WO disclosed
WO-2011002407-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed
WO-2011002407-A1 NOVEL COMPOUNDS FOR TREATMENT OF NEURODEGENERATION ASSOCIATED WITH DISEASES, SUCH AS ALZHEIMER'S DISEASE OR DEMENTIA ASTRAZENECA AB (SE) 2011-01-06 WO disclosed
US-7759353-B2 Substituted spiro iminopyrimidinones as aspartyl protease inhibitors, compositions, and methods of treatment SCHERING CORPORATION (US) 2010-07-20 US disclosed
EP-1891021-A1 ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2008-02-27 EP disclosed
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2007-12-13 US disclosed
US-20070060575-A1 Aspartyl protease inhibitors MERCK SHARP & DOHME LLC 2007-03-15 US disclosed
US-20070060575-A1 Aspartyl protease inhibitors MERCK SHARP & DOHME LLC 2007-03-15 US disclosed
WO-2006138217-A1 ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-12-28 WO disclosed
US-20060287294-A1 Aspartyl protease inhibitors MERCK SHARP & DOHME LLC 2006-12-21 US 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 (7 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-10548882-B2 Camsylate salt PSEN1, PSEN2, MAPT ENPP2 1506/4885PARP1 224/4885PRMT5 2561/4885
US-20070060575-A1 Aspartyl protease inhibitors CHRM2, BACE1, CHRM1 ENPP2 2244/4885PARP1 2232/4885PRMT5 654/4885
US-20060287294-A1 Aspartyl protease inhibitors CHRM1, BACE1, CHRM2 ENPP2 1620/4885PARP1 2021/4885PRMT5 528/4885
US-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP ENPP2 351/4885PARP1 174/4885PRMT5 2942/4885
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 ENPP2 1211/4885PARP1 1947/4885PRMT5 538/4885
US-20190262327-A1 COMBINATION OF A BACE INHIBITOR AND AN ANTIBODY OR ANTIGEN-BINDING FRAGMENT FOR THE TREATMENT OF A DISORDER ASSOCIATED WITH THE ACCUMULATION OF AMYLOID BETA BACE2, BACE1, APP ENPP2 509/4885PARP1 1669/4885PRMT5 1042/4885
US-10053453-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP ENPP2 586/4885PARP1 569/4885PRMT5 3777/4885

“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.