SCHEMBL1959299

SCHEMBL1959299

Cc1nc2c([nH]1)c(=O)[nH]c(=S)n2CC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 4/20 0.58
PDE1B Q01064 4/20 0.58
PDE1C Q14123 4/20 0.58
PDE2A O00408 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.40
PDE5A O76074 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 1/20 0.40
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL5646 0.85 PDE2A (0.61) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL5469805 0.81 PDE1A (0.47) PDE1APDE1BPDE1CPDE2ASMN1; SMN2
SCHEMBL1462083 0.81 PDE1A (0.68) PDE1APDE1BPDE1CPDE2AKMT2A
SCHEMBL1460912 0.79 PDE1A (0.58) PDE1APDE1BPDE1CPDE2ASMN1; SMN2
SCHEMBL5406879 0.78 HPGD (0.56) PDE1APDE1BPDE1CPDE2ASMN1; SMN2
SCHEMBL1460835 0.77 PDE1A (0.75) PDE1APDE1BPDE1CPDE2ASMN1; SMN2
SCHEMBL2917587 0.76 PDE1A (0.78) PDE1APDE1BPDE1CPDE2AKMT2A
SCHEMBL1460828 0.75 ADORA2A (0.59) PDE1APDE1BPDE1CPDE2ASMN1; SMN2
SCHEMBL897036 0.73 PDE1A (1.00) PDE1APDE1BPDE1CPDE2ASMN1; SMN2
SCHEMBL4621727 0.73 PDE2A (0.51) PDE1APDE1BPDE1CPDE2ASMN1; SMN2

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 38 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
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
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
US-20080293748-A1 Thioxanthine Derivatives as Myeloperoxidase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US claimed
CN-100379737-C Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2008-04-09 CN claimed
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2005-10-20 US claimed
CN-1646531-A Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2005-07-27 CN 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
WO-2021013942-A1 USE OF MYELOPEROXIDASE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES IN PATIENTS SUFFERING FROM MYELOPROLIFERATIVE NEOPLASMS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-01-28 WO 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
CN-100379737-C Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2008-04-09 CN disclosed
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2005-10-20 US disclosed
CN-1646531-A Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2005-07-27 CN disclosed
EP-1499613-A1 THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS AstraZeneca AB (SE) 2005-01-26 EP disclosed
WO-2003089430-A1 THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS ASTRAZENECA AB (SE) 2003-10-30 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 (8 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 PDE1A 696/4885PDE1B 1480/4885PDE1C 1386/4885
US-20140221400-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT PDE1A 1125/4885PDE1B 2008/4885PDE1C 1939/4885
US-20080293748-A1 Thioxanthine Derivatives as Myeloperoxidase Inhibitors MPO, XDH, EPX PDE1A 2144/4885PDE1B 2036/4885PDE1C 3031/4885
US-20200405724-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSTEM ATROPHY (MSA) 938 MPO, CAT, HTT PDE1A 756/4885PDE1B 1581/4885PDE1C 1408/4885
US-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT PDE1A 1125/4885PDE1B 2008/4885PDE1C 1939/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX PDE1A 2144/4885PDE1B 2036/4885PDE1C 3031/4885
US-20090054468-A1 New Use 938 MPO, CAT, HTT PDE1A 756/4885PDE1B 1303/4885PDE1C 1361/4885
US-20110207755-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT PDE1A 1125/4885PDE1B 2008/4885PDE1C 1939/4885

“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.