SCHEMBL4257613

SCHEMBL4257613

O=c1[nH]c(=S)n(CCO)c2cc[nH]c12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MPO P05164 19/20 0.64
OPRM1 P35372 1/20 0.64
TPO P07202 18/20 0.53
CYP3A4 P08684 2/20 0.51
KCNH2 Q12809 2/20 0.48

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
SCHEMBL1536701 0.82 MPO (0.64) MPOOPRM1TPOCYP3A4KCNH2
SCHEMBL21530641 0.81 MPO (0.63) MPOOPRM1TPOCYP3A4KCNH2
Verdiperstat SCHEMBL1536607 0.78 MPO (1.00) MPOOPRM1TPOCYP3A4KCNH2
SCHEMBL1536784 0.78 MPO (0.66) MPOOPRM1TPOCYP3A4KCNH2
SCHEMBL28896567 0.77 MPO (0.65) MPOOPRM1TPOCYP3A4KCNH2
SCHEMBL8223760 0.76 MPO (0.67) MPOOPRM1TPOCYP3A4KCNH2
SCHEMBL30601263 0.75 MPO (0.67) MPOOPRM1TPOCYP3A4KCNH2
SCHEMBL28896793 0.75 MPO (0.50) MPOOPRM1TPOCYP3A4KCNH2
SCHEMBL4259212 0.75 MPO (0.62) MPOOPRM1TPOCYP3A4KCNH2
SCHEMBL28959830 0.74 MPO (0.52) MPOOPRM1TPOCYP3A4KCNH2

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-20090124640-A1 Pyrrolo[3,2-D]Pyrimidin-4-One Derivative as Myeloperoxidase Inhibitor ASTRAZENECA AB (SE) 2009-05-14 US disclosed
US-20090124640-A1 Pyrrolo[3,2-D]Pyrimidin-4-One Derivative as Myeloperoxidase Inhibitor ASTRAZENECA AB (SE) 2009-05-14 US disclosed
US-20090124640-A1 Pyrrolo[3,2-D]Pyrimidin-4-One Derivative as Myeloperoxidase Inhibitor ASTRAZENECA AB (SE) 2009-05-14 US disclosed
EP-2029603-A1 PYRROLO[3,2-D]PYRIMIDIN-4-ONE DERIVATIVE AS MYELOPEROXIDASE INHIBITOR Astra Zeneca AB (SE) 2009-03-04 EP disclosed
WO-2007142577-A1 PYRROLO[3,2-D]PYRIMIDIN-4-ONE DERIVATIVE AS MYELOPEROXIDASE INHIBITOR ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007142577-A1 PYRROLO[3,2-D]PYRIMIDIN-4-ONE DERIVATIVE AS MYELOPEROXIDASE INHIBITOR 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 (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-20090124640-A1 Pyrrolo[3,2-D]Pyrimidin-4-One Derivative as Myeloperoxidase Inhibitor MPO, CAT, GPX1 MPO 1/4885OPRM1 1579/4885TPO 16/4885

“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.