SCHEMBL2283522

SCHEMBL2283522

Cn1cc(CNCCn2c(=S)[nH]c(=O)c3[nH]cnc32)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 9/20 0.54
TPO P07202 7/20 0.54
CYP3A4 P08684 1/20 0.42
KCNH2 Q12809 1/20 0.42
PNP P00491 1/20 0.42
PDE4A P27815 3/20 0.41
ADORA2A P29274 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
ADORA3 P0DMS8 1/20 0.41
HPGD P15428 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
BLM P54132 1/20 0.41
PDE3A Q14432 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA2 P00918 1/20 0.40
IP6K1 Q92551 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2285467 0.85 MPO (0.60) MPOTPOCYP3A4KCNH2PNP
SCHEMBL2284155 0.84 MPO (0.52) MPOTPOCYP3A4KCNH2PNP
Trifluoroacetic Acid SCHEMBL4256163 0.76 MPO (0.42) MPOTPOCYP3A4KCNH2PNP
SCHEMBL1461128 0.74 PNP (0.62) MPOTPOCYP3A4KCNH2PNP
SCHEMBL10180927 0.72 MPO (0.60) MPOTPOCYP3A4KCNH2PNP
SCHEMBL1373494 0.72 PDE4A (0.74) MPOTPOPDE4AADORA2APDE4B
SCHEMBL1460898 0.70 PDE4A (0.75) MPOTPOCYP3A4KCNH2PDE4A
SCHEMBL2285006 0.70 MPO (0.61) MPOTPOCYP3A4KCNH2PNP
SCHEMBL2279000 0.69 MPO (0.55) MPOTPOCYP3A4KCNH2PNP
SCHEMBL2286313 0.69 MPO (0.48) MPOTPOCYP3A4KCNH2PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020021300-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-01-30 WO claimed
US-20140221400-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2014-08-07 US claimed
US-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2013-03-07 US claimed
EP-2010535-B1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2012-07-11 EP claimed
US-8026244-B2 Thioxanthine derivatives and their use as inhibitors of MPO ASTRAZENECA AB (SE) 2011-09-27 US claimed
US-20110207755-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2011-08-25 US claimed
EP-2200616-A1 MIPO INHIBITORS FOR THE TREATMENT OF HUNTINGTON'S DISEASE AND MULTIPLE SYSTEM ATROPHY AstraZeneca AB (SE) 2010-06-30 EP claimed
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-06-11 US claimed
WO-2009025618-A1 MIPO INHIBITORS FOR THE TREATMENT OF HUNTINGTON'S DISEASE AND MULTIPLE SYSTEM ATROPHY ASTRAZENECA AB (SE) 2009-02-26 WO claimed
US-20090054468-A1 New Use 938 ASTRAZENECA AB (SE) 2009-02-26 US claimed
CN-113633641-A MPO inhibitors for the treatment of huntington's disease and multiple system atrophy 阿斯利康(瑞典)有限公司 2021-11-12 CN disclosed
US-20200405724-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSTEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2020-12-31 US disclosed
US-10772890-B2 Use of myeloperoxidase (MPO) inhibitors or pharmaceutically acceptable salts thereof to treat multiple system atrophy (MSA) 938 ASTRAZENECA AB (SE) 2020-09-15 US disclosed
WO-2020021300-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS FOR THE TREATMENT OF CHEMORESISTANT ACUTE MYELOID LEUKEMIA (AML) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-01-30 WO disclosed
US-20190099423-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSTEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2019-04-04 US disclosed
US-8026244-B2 Thioxanthine derivatives and their use as inhibitors of MPO ASTRAZENECA AB (SE) 2011-09-27 US disclosed
US-20110207755-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2011-08-25 US disclosed
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-06-11 US disclosed
US-20090053176-A1 New Combination 937 ASTRAZENECA AB (SE) 2009-02-26 US disclosed
US-20090054468-A1 New Use 938 ASTRAZENECA AB (SE) 2009-02-26 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 (9 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-10772890-B2 Use of myeloperoxidase (MPO) inhibitors or pharmaceutically acceptable salts thereof to treat multiple system atrophy (MSA) 938 MPO, CAT, SOD1 MPO 1/4885TPO 35/4885CYP3A4 3017/4885
US-20140221400-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT MPO 1/4885TPO 87/4885CYP3A4 2838/4885
US-20200405724-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSTEM ATROPHY (MSA) 938 MPO, CAT, HTT MPO 1/4885TPO 28/4885CYP3A4 3083/4885
US-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT MPO 1/4885TPO 87/4885CYP3A4 2838/4885
US-20090053176-A1 New Combination 937 MPO, PARK7, CAT MPO 1/4885TPO 253/4885CYP3A4 3867/4885
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX MPO 1/4885TPO 12/4885CYP3A4 1227/4885
US-20190099423-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSTEM ATROPHY (MSA) 938 MPO, CAT, HTT MPO 1/4885TPO 28/4885CYP3A4 3083/4885
US-20090054468-A1 New Use 938 MPO, CAT, HTT MPO 1/4885TPO 199/4885CYP3A4 3883/4885
US-20110207755-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT MPO 1/4885TPO 87/4885CYP3A4 2838/4885

“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.