SCHEMBL4258108

SCHEMBL4258108

COC(=O)c1sc(C(O[SiH2]C(C)(C)C)(c2ccccc2)c2ccccc2)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.49
MAPK14 Q16539 8/20 0.49
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4770433 0.94 RAF1 (0.45) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4265191 0.81 L3MBTL1 (0.43) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL667203 0.77 RAF1 (0.61) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4256267 0.74 L3MBTL1 (0.38) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14434334 0.72 RAF1 (0.45) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL101455 0.70 RAF1 (0.42) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4781956 0.70 RAF1 (0.42) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL668558 0.69 RAF1 (0.49) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13912299 0.68 HPGD (0.49) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4169623 0.68 RAF1 (0.44) RAF1MAPK14MAPK13MAPK12MAPK11

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
US-8828991-B2 Azacyclyl-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-09 US disclosed
US-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US disclosed
EP-1986646-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093363-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 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-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MPI, TPMT RAF1 4885/4885MAPK14 3288/4885MAPK13 3561/4885

“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.