SCHEMBL4256835

SCHEMBL4256835

COC(=O)c1sc(C(=O)C2CCOCC2)cc1NC(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
RAF1 P04049 10/20 0.35
MAPK14 Q16539 7/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
MAPT P10636 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL4773050 0.94 HDAC1 (0.37) KDM4EHTTATMRAF1MAPK14
SCHEMBL4166268 0.90 KDM4E (0.41) KDM4EHTTATMRAF1MAPK14
SCHEMBL4774820 0.82 MEN1 (0.50) KDM4EHTTMAPTALDH1A1TP53
SCHEMBL14434356 0.78 KDM4E (0.43) KDM4ERAF1MAPK14MAPTMAPK13
SCHEMBL4256288 0.77 KDM4E (0.41) KDM4EHTTATMHDAC3HDAC1
SCHEMBL4261811 0.75 RAF1 (0.39) KDM4ERAF1MAPK14MAPTMAPK13
SCHEMBL4168981 0.74 RAF1 (0.39) KDM4EHTTATMRAF1MAPK14
SCHEMBL13906531 0.73 RAF1 (0.45) KDM4ERAF1MAPK14MAPTMAPK13
SCHEMBL4147003 0.72 HPGD (0.42) KDM4ERAF1MAPK14MAPTMAPK13
SCHEMBL612016 0.72 MAPK14 (0.41) KDM4ERAF1MAPK14MAPTMAPK13

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 KDM4E 414/4885HTT 926/4885ATM 3726/4885

“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.