SCHEMBL4459832

SCHEMBL4459832

O=c1[nH]c(=S)n(-c2ccc(C(F)(F)F)nc2)c2nc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 0.46
TPO P07202 4/20 0.46
KCNH2 Q12809 2/20 0.37
PDE4A P27815 4/20 0.36
ADORA2A P29274 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
PNP P00491 1/20 0.36
CYP3A4 P08684 1/20 0.35
DAO P14920 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34
HPGD P15428 1/20 0.34
BLM P54132 1/20 0.34
PDE3A Q14432 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OPRL1 P41146 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL4321197 0.77 MPO (0.51) MPOTPOKCNH2PDE4AADORA2A
SCHEMBL4458262 0.77 ALDH1A1 (0.46) MPOTPOKCNH2PDE4AADORA2A
SCHEMBL4473827 0.74 KDM4E (0.51) MPOTPOPDE4AADORA2APDE4B
SCHEMBL4472233 0.74 GAA (0.58) KCNH2DAOHPGDHSD17B10OPRL1
SCHEMBL4456850 0.74 MPO (0.43) MPOTPOPDE4APDE4BPDE4C
SCHEMBL4460714 0.73 MPO (0.53) MPOTPOKCNH2PDE4APDE4B
SCHEMBL4459189 0.73 MPO (0.49) MPOTPOKCNH2PDE4AADORA2A
SCHEMBL4316162 0.73 MPO (0.42) MPOTPOKCNH2PDE4AADORA2A
SCHEMBL4455014 0.72 PDE4A (0.54) MPOTPOKCNH2PDE4APDE4B
SCHEMBL3128366 0.71 MPO (0.51) MPOTPOKCNH2PDE4AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-11-19 US claimed
EP-2010534-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120097-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 WO claimed
US-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-11-19 US disclosed
EP-2010534-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120097-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 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 (1 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-20090286813-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX MPO 1/4885TPO 8/4885KCNH2 2611/4885

“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.