SCHEMBL1958826

SCHEMBL1958826

CC(C)Cn1c(=S)n(C)c(=O)c2[nH]cnc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.75
PDE4B Q07343 10/20 0.75
PDE4C Q08493 10/20 0.75
PDE4D Q08499 10/20 0.75
CFTR P13569 2/20 0.75
PDE2A O00408 2/20 0.75
PDE1A P54750 2/20 0.75
PDE1B Q01064 2/20 0.75
PDE1C Q14123 2/20 0.75
ADORA1 P30542 2/20 0.75
CYP1A2 P05177 2/20 0.75
PDE5A O76074 1/20 0.75
CYP3A4 P08684 1/20 0.75
TSHR P16473 1/20 0.75
MAPK1 P28482 1/20 0.75
SCN1A P35498 1/20 0.75
PDE6C P51160 1/20 0.75
PDE3B Q13370 1/20 0.75
PDE7A Q13946 1/20 0.75
PDE3A Q14432 1/20 0.75

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
Isobutylmethylxanthine SCHEMBL50315 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCFTR
Isobutylmethylxanthine SCHEMBL28814716 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCFTR
Isobutylmethylxanthine SCHEMBL7637581 0.83 PDE4A (0.94) PDE4APDE4BPDE4CPDE4DCFTR
Isobutylmethylxanthine SCHEMBL4262798 0.82 PDE4A (0.92) PDE4APDE4BPDE4CPDE4DCFTR
SCHEMBL7096675 0.81 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DCFTR
SCHEMBL239725 0.80 CFTR (1.00) PDE4APDE4BPDE4CPDE4DCFTR
Isobutylmethylxanthine SCHEMBL3185038 0.78 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DCFTR
SCHEMBL10579248 0.77 ADORA2B (1.00) PDE4APDE4BPDE4CPDE4DCFTR
SCHEMBL1376703 0.76 ADORA2A (0.59) PDE4APDE4BPDE4CPDE4DCFTR
SCHEMBL1460828 0.76 ADORA2A (0.59) PDE4APDE4BPDE4CPDE4DCFTR

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 33 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
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
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-7425560-B2 Thioxanthine derivatives as myeloperoxidase inhibitors ASTRAZENECA AB (SE) 2008-09-16 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 PDE4A 483/4885PDE4B 835/4885PDE4C 784/4885
US-20140221400-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT PDE4A 814/4885PDE4B 1209/4885PDE4C 1293/4885
US-20080293748-A1 Thioxanthine Derivatives as Myeloperoxidase Inhibitors MPO, XDH, EPX PDE4A 793/4885PDE4B 958/4885PDE4C 1247/4885
US-20200405724-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSTEM ATROPHY (MSA) 938 MPO, CAT, HTT PDE4A 548/4885PDE4B 977/4885PDE4C 835/4885
US-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT PDE4A 814/4885PDE4B 1209/4885PDE4C 1293/4885
US-20050234036-A1 Thioxanthine derivatives as myeloperoxidase inhibitors MPO, XDH, EPX PDE4A 793/4885PDE4B 958/4885PDE4C 1247/4885
US-20090054468-A1 New Use 938 MPO, CAT, HTT PDE4A 429/4885PDE4B 665/4885PDE4C 673/4885
US-20110207755-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT PDE4A 814/4885PDE4B 1209/4885PDE4C 1293/4885

“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.