SCHEMBL3114677

SCHEMBL3114677

O=C(O)c1sc2c(ccc(=O)n2-c2c(F)cccc2F)c1Br

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.38
MAPK13 O15264 5/20 0.38
MAPK12 P53778 5/20 0.38
MAPK11 Q15759 5/20 0.38
PDE7A Q13946 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7B Q9NP56 1/20 0.34
KCNH2 Q12809 1/20 0.34
BCKDK O14874 1/20 0.30
RPA1 P27694 1/20 0.30

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
SCHEMBL3113064 0.83 ALDH1A1 (0.43)
SCHEMBL1267416 0.81 ALDH1A1 (0.36)
SCHEMBL1266759 0.81 BCKDK (0.36) BCKDKRPA1
SCHEMBL3114743 0.79 TYK2 (0.34) MAPK14MAPK13MAPK12MAPK11PDE4B
SCHEMBL4562849 0.79 TYK2 (0.34) MAPK14MAPK13MAPK12MAPK11PDE4B
SCHEMBL3118759 0.79 TYK2 (0.34) MAPK14MAPK13MAPK12MAPK11PDE4B
SCHEMBL3116038 0.76 RAB9A (0.45)
SCHEMBL3115823 0.76 RAB9A (0.45)
SCHEMBL1266124 0.76 NOTUM (0.39) MAPK14MAPK13MAPK12MAPK11
SCHEMBL12895320 0.74 GPR35 (0.35) BCKDK

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-20100179185-A1 Novel Aminothienopyridinone Derivatives Processes for Preparing Them and Pharmaceutical Compositions Thereof UCB PHARMA, S.A. (BE) 2010-07-15 US claimed
EP-2099805-A2 NOVEL AMINOTHIENOPYRIDINONE DERIVATIVES PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS THEREOF UCB Pharma S.A. (BE) 2009-09-16 EP claimed
WO-2008064829-A2 NOVEL AMINOTHIENOPYRIDINONE DERIVATIVES PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS THEREOF UCB PHARMA, S.A. (BE) 2008-06-05 WO claimed
US-20100179185-A1 Novel Aminothienopyridinone Derivatives Processes for Preparing Them and Pharmaceutical Compositions Thereof UCB PHARMA, S.A. (BE) 2010-07-15 US disclosed
EP-2099805-A2 NOVEL AMINOTHIENOPYRIDINONE DERIVATIVES PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS THEREOF UCB Pharma S.A. (BE) 2009-09-16 EP disclosed
WO-2008064829-A2 NOVEL AMINOTHIENOPYRIDINONE DERIVATIVES PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS THEREOF UCB PHARMA, S.A. (BE) 2008-06-05 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-20100179185-A1 Novel Aminothienopyridinone Derivatives Processes for Preparing Them and Pharmaceutical Compositions Thereof AASDHPPT, PTMS, TPMT MAPK14 3742/4885MAPK13 3361/4885MAPK12 3170/4885

“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.