SCHEMBL14740529

SCHEMBL14740529

CCc1c[nH]c(CNC(C)Cn2c(=S)[nH]c(=O)c3[nH]cnc32)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 7/20 0.51
TPO P07202 5/20 0.51
CYP3A4 P08684 2/20 0.42
KCNH2 Q12809 1/20 0.42
ADORA2A P29274 7/20 0.41
PDE4A P27815 5/20 0.41
PDE4B Q07343 5/20 0.41
PDE4C Q08493 5/20 0.41
PDE4D Q08499 5/20 0.41
ADORA2B P29275 6/20 0.40
ADORA1 P30542 2/20 0.40
PDE3A Q14432 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
HPGD P15428 1/20 0.40
BLM P54132 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE2A O00408 2/20 0.34
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE1C Q14123 2/20 0.34

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
SCHEMBL2284153 0.82 MPO (0.54) MPOTPOCYP3A4KCNH2ADORA2A
SCHEMBL31025182 0.79 MPO (0.56) MPOTPOCYP3A4KCNH2ADORA2A
SCHEMBL2285832 0.79 MPO (0.56) MPOTPOCYP3A4KCNH2ADORA2A
SCHEMBL4166941 0.78 MPO (0.60) MPOTPOCYP3A4KCNH2ADORA2A
SCHEMBL2283546 0.78 MPO (0.57) MPOTPOCYP3A4KCNH2ADORA2A
SCHEMBL10187822 0.77 MPO (0.56) MPOTPOCYP3A4KCNH2ADORA2A
SCHEMBL2288054 0.77 MPO (0.53) MPOTPOCYP3A4KCNH2ADORA2A
SCHEMBL14740525 0.77 MPO (0.51) MPOTPOCYP3A4KCNH2ADORA2A
SCHEMBL2282550 0.77 MPO (0.52) MPOTPOCYP3A4KCNH2ADORA2A
SCHEMBL21632689 0.77 MPO (0.52) MPOTPOCYP3A4KCNH2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 ASTRAZENECA AB (SE) 2013-03-07 US claimed

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-20130059870-A1 USE OF MYELOPEROXIDASE (MPO) INHIBITORS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT MULTIPLE SYSYEM ATROPHY (MSA) 938 MPO, CAT, HTT MPO 1/4885TPO 87/4885CYP3A4 2838/4885

“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.