SCHEMBL1774836

SCHEMBL1774836

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.54
▸ PDE4A P27815 9/20 0.54
▸ PDE4B Q07343 9/20 0.54
▸ PDE4C Q08493 9/20 0.54
▸ PDE4D Q08499 9/20 0.54
▸ ADORA2B P29275 7/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ PDE3A Q14432 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MPO P05164 6/20 0.52
▸ TPO P07202 4/20 0.52
▸ CYP3A4 P08684 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ PNP P00491 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
SCHEMBL1775036 0.91 ADORA2A (0.50) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL1775064 0.88 MPO (0.54) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL1373494 0.78 PDE4A (0.74) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL1536665 0.77 MPO (0.55) MPOTPOCYP3A4KCNH2
SCHEMBL4254818 0.76 MPO (0.39) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL1776729 0.76 MPO (0.53) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL1775931 0.76 MPO (0.53) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL1774520 0.76 PDE4A (0.56) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL1774519 0.76 MPO (0.53) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL1460898 0.76 PDE4A (0.75) ADORA2APDE4APDE4BPDE4CPDE4D

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943625-B2 Myeloperoxidase inhibitors; neuroinflammatory disorders; COPD; 3-(2-Ethoxy-2-methylpropyl)-2-thioxanthine ASTRAZENECA AB (SE) 2011-05-17 — — US claimed
US-20090131459-A1 2-Thioxanthine Derivatives Acting as MPO-Inhibitors ASTRAZENECA AB (SE) 2009-05-21 — — US claimed
EP-2029598-A1 2-THIOXANTHINE DERIVATIVES ACTING AS MPO-INHIBITORS Astra Zeneca AB (SE) 2009-03-04 — — EP claimed
US-20080221133-A1 Compounds ASTRAZENECA AB (SE) 2008-09-11 — — US claimed
WO-2007142576-A1 2-THIOXANTHINE DERIVATIVES ACTING AS MPO-INHIBITORS ASTRAZENECA AB (SE) 2007-12-13 — — WO claimed
US-20140199316-A1 METHODS OF TREATING COMPLICATIONS AND DISORDERS ASSOCIATED WITH G-CSF ADMINISTRATION SACKSTEIN ROBERT (US) 2014-07-17 — — US disclosed
US-8765126-B2 Methods of treating complications and disorders associated with G-CSF administration SACKSTEIN ROBERT (US) 2014-07-01 — — US disclosed
US-20130224217-A1 METHODS OF TREATING COMPLICATIONS AND DISORDERS ASSOCIATED WITH G-CSF ADMINISTRATION SACKSTEIN ROBERT (US) 2013-08-29 — — US disclosed
WO-2012151576-A1 METHODS OF TREATING COMPLICATIONS AND DISORDERS ASSOCIATED WITH G-CSF ADMINISTRATION SACKSTEIN ROBERT (US) 2012-11-08 — — WO disclosed
US-7943625-B2 Myeloperoxidase inhibitors; neuroinflammatory disorders; COPD; 3-(2-Ethoxy-2-methylpropyl)-2-thioxanthine ASTRAZENECA AB (SE) 2011-05-17 — — US disclosed
US-20090131459-A1 2-Thioxanthine Derivatives Acting as MPO-Inhibitors ASTRAZENECA AB (SE) 2009-05-21 — — US disclosed
EP-2029598-A1 2-THIOXANTHINE DERIVATIVES ACTING AS MPO-INHIBITORS Astra Zeneca AB (SE) 2009-03-04 — — EP disclosed
US-20080221133-A1 Compounds ASTRAZENECA AB (SE) 2008-09-11 — — US disclosed
WO-2007142576-A1 2-THIOXANTHINE DERIVATIVES ACTING AS MPO-INHIBITORS ASTRAZENECA AB (SE) 2007-12-13 — — 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 (4 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-20140199316-A1 METHODS OF TREATING COMPLICATIONS AND DISORDERS ASSOCIATED WITH G-CSF ADMINISTRATION MPO, CSF3R, CSF1R ADORA2A 2145/4885PDE4A 1525/4885PDE4B 1547/4885
US-20090131459-A1 2-Thioxanthine Derivatives Acting as MPO-Inhibitors MPO, SERPINB1, XDH ADORA2A 1540/4885PDE4A 1129/4885PDE4B 1424/4885
US-20130224217-A1 METHODS OF TREATING COMPLICATIONS AND DISORDERS ASSOCIATED WITH G-CSF ADMINISTRATION MPO, CSF3R, CSF1R ADORA2A 2145/4885PDE4A 1525/4885PDE4B 1547/4885
US-20080221133-A1 Compounds C1R, C1S, AKR1C3 ADORA2A 3228/4885PDE4A 3823/4885PDE4B 3902/4885

“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.

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