SCHEMBL4166941

SCHEMBL4166941

CC(Cn1c(=S)[nH]c(=O)c2[nH]cnc21)NCc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 8/20 0.60
TPO P07202 6/20 0.60
CYP3A4 P08684 1/20 0.45
KCNH2 Q12809 1/20 0.45
PNP P00491 1/20 0.42
PDE4A P27815 3/20 0.40
ADORA2A P29274 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
ADORA3 P0DMS8 1/20 0.39
HPGD P15428 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
BLM P54132 1/20 0.39
PDE3A Q14432 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GNRHR P30968 4/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL2283914 0.92 MPO (0.52) MPOTPOCYP3A4KCNH2PNP
Trifluoroacetic Acid SCHEMBL31025210 0.92 MPO (0.52) MPOTPOCYP3A4KCNH2PNP
SCHEMBL10187822 0.85 MPO (0.56) MPOTPOCYP3A4KCNH2PNP
SCHEMBL2283546 0.84 MPO (0.57) MPOTPOCYP3A4KCNH2PNP
SCHEMBL2281089 0.82 MPO (0.56) MPOTPOCYP3A4KCNH2PNP
SCHEMBL2283751 0.82 MPO (0.52) MPOTPOCYP3A4KCNH2PNP
SCHEMBL2284153 0.82 MPO (0.54) MPOTPOCYP3A4KCNH2PNP
SCHEMBL2283269 0.81 MPO (0.56) MPOTPOCYP3A4KCNH2PNP
SCHEMBL31025182 0.81 MPO (0.56) MPOTPOCYP3A4KCNH2PNP
SCHEMBL2285832 0.81 MPO (0.56) MPOTPOCYP3A4KCNH2PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010535-B1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2012-07-11 EP claimed
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-06-11 US disclosed
EP-2010535-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120098-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-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX MPO 1/4885TPO 12/4885CYP3A4 1227/4885

“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.