SCHEMBL1536749

SCHEMBL1536749

O=c1[nH]c(=S)n(Cc2nc3cc(Cl)ccc3[nH]2)c2cc[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MPO P05164 19/20 0.61
TPO P07202 18/20 0.61
CYP3A4 P08684 2/20 0.61
KCNH2 Q12809 2/20 0.58
OPRM1 P35372 1/20 0.44

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
SCHEMBL1536742 0.85 MPO (0.55) MPOTPOCYP3A4KCNH2OPRM1
SCHEMBL1536615 0.81 MPO (0.62) MPOTPOCYP3A4KCNH2OPRM1
SCHEMBL30601263 0.79 MPO (0.67) MPOTPOCYP3A4KCNH2OPRM1
SCHEMBL1536751 0.77 MPO (0.47) MPOTPOCYP3A4KCNH2OPRM1
SCHEMBL17782017 0.77 MPO (0.71) MPOTPOCYP3A4KCNH2
SCHEMBL30601274 0.77 MPO (0.71) MPOTPOCYP3A4KCNH2
SCHEMBL30601242 0.76 MPO (0.78) MPOTPOCYP3A4KCNH2
SCHEMBL17782032 0.76 MPO (1.00) MPOTPOCYP3A4KCNH2
SCHEMBL1536649 0.74 MPO (0.54) MPOTPOCYP3A4KCNH2OPRM1
SCHEMBL30601330 0.74 MPO (0.70) MPOTPOCYP3A4KCNH2

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 37 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-9580429-B2 Pyrrolo[3,2-D]pyrimidin-4-one derivatives and their use in therapy ASTRAZENECA AB (SE) 2017-02-28 US claimed
US-20150099769-A1 PYRROLO[3,2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2015-04-09 US claimed
US-8859568-B2 Pyrrolo[3,2-D]pyrimidin-4-one derivatives and their use in therapy ASTRAZENECA AB (SE) 2014-10-14 US 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-1824855-B1 Novel pyrrolo [3, 2-d]pyrimidin-4-one derivatives and their use in therapy ASTRAZENECA AB (SE) 2012-08-08 EP 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
US-20110059996-A1 NOVEL PYRROLO [3, 2-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-03-10 US claimed
US-20090054468-A1 New Use 938 ASTRAZENECA AB (SE) 2009-02-26 US claimed
US-20080221136-A1 neuroinflammatory, cardiovascular and respiratory disorders; inhibitors of Myeloperoxidase found predominantly in polymorphonuclear leukocytes; 1-butyl-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one ASTRAZENECA AB (SE) 2008-09-11 US claimed
JP-2008522968-A 2008-07-03 JP claimed
EP-1824855-A1 NOVEL PYRROLO [3, 2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-08-29 EP claimed
WO-2006062465-A1 NOVEL PYRROLO [3, 2-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-15 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
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-20080221136-A1 neuroinflammatory, cardiovascular and respiratory disorders; inhibitors of Myeloperoxidase found predominantly in polymorphonuclear leukocytes; 1-butyl-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one ASTRAZENECA AB (SE) 2008-09-11 US disclosed
EP-1824855-A1 NOVEL PYRROLO [3, 2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-08-29 EP disclosed
WO-2006062465-A1 NOVEL PYRROLO [3, 2-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-15 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-20110059996-A1 NOVEL PYRROLO [3, 2-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY MPO, EPX, XDH MPO 1/4885TPO 39/4885CYP3A4 488/4885
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-20150099769-A1 PYRROLO[3,2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY MPO, EPX, XDH MPO 1/4885TPO 23/4885CYP3A4 492/4885
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-20080221136-A1 neuroinflammatory, cardiovascular and respiratory disorders; inhibitors of Myeloperoxidase found predominantly in polymorphonuclear leukocytes; 1-butyl-2-thioxo-1,2,3,5-tetrahydro-pyrrolo[3,2-d]pyrimidin-4-one MPO, EPX, SERPINB1 MPO 1/4885TPO 50/4885CYP3A4 672/4885
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.