SCHEMBL2849513

SCHEMBL2849513

CN1N=C(c2ccc(F)cc2)C(c2ccnc(NCCc3ccccc3)c2)=S1C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.52
MAPK13 O15264 6/20 0.52
MAPK12 P53778 6/20 0.52
MAPK11 Q15759 6/20 0.52
HTR7 P34969 6/20 0.46
ACHE P22303 2/20 0.40
GRK2 P25098 1/20 0.39

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
SCHEMBL2844777 0.90 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2851811 0.84 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2843738 0.78 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2849519 0.74 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2846548 0.73 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2841222 0.72 MAPK14 (0.58) MAPK14
SCHEMBL2847243 0.71 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5353409 0.70 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11HTR7
SCHEMBL7214775 0.70 NR3C2 (0.57) MAPK14MAPK13MAPK12MAPK11HTR7
SCHEMBL2298729 0.68 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11HTR7

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
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
US-7253191-B2 2-thio-substituted imidazole derivatives and the use thereof in the pharmaceutical industry MERCKLE GMBH (DE) 2007-08-07 US 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
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
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-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.