SCHEMBL5095692

SCHEMBL5095692

CCn1c(-c2ccncc2)c(-c2ccc(F)cc2)[nH]c1=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 1/20 0.51
MAPK14 Q16539 11/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
GCGR P47871 5/20 0.45
BUB1 O43683 1/20 0.44
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
FRK P42685 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43

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
SCHEMBL5104762 0.90 MAPK14 (0.52) RIPK3MAPK14GAAMAPTTDP1
SCHEMBL5095878 0.84 RIPK3 (0.57) RIPK3MAPK14GCGRBUB1
SCHEMBL5095846 0.84 GAA (0.44) MAPK14GAAMAPTTDP1GCGR
SCHEMBL5091819 0.83 MAPT (0.51) RIPK3MAPK14GAAMAPTTDP1
SCHEMBL5104614 0.82 RIPK3 (0.54) RIPK3MAPK14GAAMAPTTDP1
SCHEMBL5091878 0.82 TDP1 (0.53) RIPK3MAPK14GAAMAPTTDP1
SCHEMBL5098359 0.82 ALOX5 (0.47) RIPK3MAPK14GAAMAPTTDP1
SCHEMBL14033245 0.82 MAPK14 (0.54) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5091913 0.82 MAPK14 (0.54) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5104445 0.78 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11

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
US-7442713-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2008-10-28 US disclosed
US-7253191-B2 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2007-08-07 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
US-20040116416-A1 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2004-06-17 US 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 RIPK3 1946/4885MAPK14 3913/4885GAA 2561/4885

“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.