SCHEMBL2842996

SCHEMBL2842996

Fc1ccc(-c2nc3n(c2-c2ccnc(F)c2)CCS3)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.73
MAPK13 O15264 5/20 0.73
MAPK12 P53778 5/20 0.73
MAPK11 Q15759 5/20 0.73
KDM4E B2RXH2 1/20 0.72
CYP3A4 P08684 1/20 0.72
HPGD P15428 1/20 0.72
ALOX15 P16050 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
HSD17B10 Q99714 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
TGFBR1 P36897 1/20 0.61
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK10 P53779 2/20 0.40
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL2845779 0.88 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL7378916 0.85 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL146947 0.85 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11KDM4E
Hydrochloric Acid SCHEMBL11369989 0.84 TDP1 (0.87) MAPK14MAPK13MAPK12MAPK11KDM4E
Hydrochloric Acid SCHEMBL170802 0.84 KDM4E (1.00) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL2851558 0.82 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL2851559 0.82 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL2847515 0.82 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL2847761 0.82 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL2849391 0.81 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11KDM4E

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.