SCHEMBL1460912

SCHEMBL1460912

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 3/20 0.58
PDE1B Q01064 3/20 0.58
PDE1C Q14123 3/20 0.58
PDE2A O00408 2/20 0.58
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PDE5A O76074 2/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
MTOR P42345 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL9706609 0.83 HPGD (0.49) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL9706669 0.81 ADORA2A (0.45) PDE1APDE1BPDE1CPDE2AHPGD
SCHEMBL1462083 0.81 PDE1A (0.68) PDE1APDE1BPDE1CPDE2AMEN1
SCHEMBL1959299 0.79 PDE1A (0.58) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL9646588 0.79 CYP3A4 (0.41) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL7419694 0.78 PDE4A (0.47) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL1460835 0.77 PDE1A (0.75) PDE1APDE1BPDE1CPDE2AMEN1
SCHEMBL2917587 0.76 PDE1A (0.78) PDE1APDE1BPDE1CPDE2AMEN1
SCHEMBL1376703 0.75 ADORA2A (0.59) PDE1APDE1BPDE1CPDE2AHPGD

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 45 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
JP-4649112-B2 2011-03-09 JP 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
JP-2005526836-A 2005-09-08 JP claimed
CN-1646531-A Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2005-07-27 CN claimed
EP-1499613-A1 THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS AstraZeneca AB (SE) 2005-01-26 EP claimed
WO-2003089430-A1 THIOXANTHINE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS ASTRAZENECA AB (SE) 2003-10-30 WO 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
EP-0799040-A4 TRISUBSTITUTED THIOXANTHINES EURO CELTIQUE SA (LU) 1998-04-01 EP disclosed
EP-0799040-A1 TRISUBSTITUTED THIOXANTHINES Euroceltique S.A. (LU) 1997-10-08 EP disclosed
WO-1996018400-A1 TRISUBSTITUTED THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 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 (6 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-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-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.