SCHEMBL2849352

SCHEMBL2849352

Cn1c([S+](C)[O-])nc(-c2ccc(F)cc2)c1-c1ccnc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.49
MAPK13 O15264 8/20 0.49
MAPK12 P53778 8/20 0.49
MAPK11 Q15759 8/20 0.49
KCNH2 Q12809 2/20 0.47
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4D Q08499 2/20 0.47
PDE4C Q08493 1/20 0.43
MAPK10 P53779 2/20 0.42
GSK3B P49841 1/20 0.41
GCGR P47871 1/20 0.40

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
SCHEMBL2845854 0.83 MAPK14 (0.51) MAPK14MAPK10
SCHEMBL2843938 0.82 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL29357806 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL2844869 0.82 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL2841705 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL2844502 0.80 MAPK14 (0.56) MAPK14PDE4APDE4BPDE4DPDE4C
SCHEMBL2845781 0.79 MAPK14 (0.58) MAPK14PDE4APDE4BPDE4DPDE4C
SCHEMBL3230632 0.79 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL3231064 0.79 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL2845098 0.79 MAPK14 (0.58) MAPK14PDE4APDE4BPDE4DPDE4C

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-20100273833-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2010-10-28 US disclosed
EP-1853581-B1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2010-06-02 EP disclosed
US-20100069436-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT Merckle (DE) 2010-03-18 US disclosed
EP-2054404-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MERCKLE GMBH (DE) 2009-05-06 EP disclosed
EP-1894925-A1 Imidazole compounds having an antiinflammatory effect MERCKLE GMBH (DE) 2008-03-05 EP disclosed
WO-2008023066-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MERCKLE GMBH (DE) 2008-02-28 WO disclosed
CN-101128453-A 2-sulfinyl-and 2-sulfonyl-substituted imidazole derivatives and their use as cytokine inhibitors MERCKLE GMBH (DE) 2008-02-20 CN disclosed
EP-1853581-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2007-11-14 EP disclosed
WO-2006089798-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2006-08-31 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 (2 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-20100069436-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MIF, TNF, IL1B MAPK14 2368/4885MAPK13 2173/4885MAPK12 1839/4885
US-20100273833-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B MAPK14 1604/4885MAPK13 1854/4885MAPK12 1684/4885

“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.