SCHEMBL4460714

SCHEMBL4460714

O=c1[nH]c(=S)n(-c2cccc(F)c2)c2nc[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.53
TPO P07202 4/20 0.53
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
MAPK1 P28482 1/20 0.40
PNP P00491 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
UBE2N P61088 1/20 0.38
POLB P06746 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 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
SCHEMBL4455014 0.86 PDE4A (0.54) MPOTPOPDE4APDE4BPDE4C
SCHEMBL4456850 0.82 MPO (0.43) MPOTPOPDE4APDE4BPDE4C
SCHEMBL4456420 0.82 MPO (0.42) MPOTPOPDE4APDE4BPDE4C
SCHEMBL4457135 0.82 MPO (0.47) MPOTPOPDE4APDE4BPDE4C
SCHEMBL4338497 0.80 MPO (0.56) MPOTPOPDE4APDE4BPDE4C
SCHEMBL4458262 0.79 ALDH1A1 (0.46) MPOTPOPDE4APDE4BPDE4C
SCHEMBL4459189 0.78 MPO (0.49) MPOTPOPDE4APDE4BPDE4C
SCHEMBL4457887 0.77 PDE4B (0.39) MPOTPOPDE4APDE4BPDE4C
SCHEMBL4321197 0.76 MPO (0.51) MPOTPOPDE4APDE4BPDE4C
SCHEMBL4460074 0.76 PDE4A (0.44) MPOTPOPDE4APDE4BPDE4C

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 8/4885PDE4A 534/4885

“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.