SCHEMBL5098359

SCHEMBL5098359

CN(C)CCCn1c(-c2ccncc2)c(-c2ccc(F)cc2)[nH]c1=S

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
MPO P05164 3/20 0.47
MAPK14 Q16539 6/20 0.43
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
XDH P47989 1/20 0.42
RIPK3 Q9Y572 2/20 0.41
GCGR P47871 1/20 0.41

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
SCHEMBL5095846 0.93 GAA (0.44) ALOX5MAPK14GAAMAPTTDP1
SCHEMBL5104614 0.85 RIPK3 (0.54) MAPK14GAAMAPTTDP1RIPK3
SCHEMBL5104762 0.84 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL5095692 0.82 RIPK3 (0.51) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL14033245 0.80 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5091913 0.80 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5104445 0.76 MAPK14 (0.55) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL5091819 0.76 MAPT (0.51) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL5091878 0.75 TDP1 (0.53) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL3230997 0.72 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362045-A2 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2003-11-19 EP claimed
WO-2002066458-A2 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2002-08-29 WO claimed
US-7442713-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2008-10-28 US disclosed
US-20060252810-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics LAUFER STEFAN 2006-11-09 US disclosed
EP-1506187-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2005-02-16 EP disclosed
EP-1362045-B1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2004-11-17 EP disclosed
WO-2003097633-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2003-11-27 WO disclosed
EP-1362045-A2 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2003-11-19 EP disclosed
WO-2002066458-A2 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE PHARMACEUTICAL INDUSTRY MERCKLE GMBH (DE) 2002-08-29 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-20060252810-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics IL2, TPMT, IFNG ALOX5 1104/4885MPO 468/4885MAPK14 3913/4885

“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.