SCHEMBL1040586

SCHEMBL1040586

COC(=O)c1c(C)csc1NC(=O)Cc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 13/20 0.77
MAPK9 P45984 13/20 0.77
MAPK10 P53779 13/20 0.77
MAPT P10636 3/20 0.65
CYP1A2 P05177 1/20 0.65
POLB P06746 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C19 P33261 1/20 0.65
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.52
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PDE4D Q08499 1/20 0.50

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
SCHEMBL3712247 0.87 MAPK8 (0.78) MAPK8MAPK9MAPK10MAPTCYP1A2
SCHEMBL3714731 0.84 MAPK8 (1.00) MAPK8MAPK9MAPK10MAPTCYP1A2
SCHEMBL14780538 0.82 MAPK8 (0.78) MAPK8MAPK9MAPK10MAPTCYP3A4
SCHEMBL3713959 0.81 MAPK8 (0.77) MAPK8MAPK9MAPK10MAPTPOLB
SCHEMBL9049807 0.80 CYP1A2 (0.56) MAPK8MAPK9MAPK10MAPTCYP1A2
SCHEMBL1077995 0.77 MAPT (0.77) MAPK8MAPK9MAPK10MAPTCYP1A2
SCHEMBL23413572 0.77 NPC1 (0.76) MAPK8MAPK9MAPK10MAPTCYP1A2
SCHEMBL13040502 0.77 MAPK8 (0.60) MAPK8MAPK9MAPK10MAPTPOLB
SCHEMBL3714662 0.76 MAPK8 (0.80) MAPK8MAPK9MAPK10HTT
SCHEMBL30216491 0.75 ALDH1A1 (0.63) MAPK8MAPK9MAPK10MAPTPOLB

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-1915150-B1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2011-01-26 EP disclosed
US-20090105293-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GESELLSCHAFT (DE) 2009-04-23 US disclosed
EP-1754483-A1 Use of thienopyridone derivatives as AMPK activators and pharmaceutical compositions containing them Merck Sante (FR) 2007-02-21 EP disclosed
US-5602144-A ADMINISTERING FOR TREATMENT OF CEREBRAL ISCHAEMIA OR SCHIZOPHRENIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-02-11 US 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-20090105293-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PRKAR2A, PRKAR2B, PRKAB1 MAPK8 2113/4885MAPK9 1187/4885MAPK10 1120/4885

“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.