SCHEMBL4464730

SCHEMBL4464730

COc1ccc(CNc2cc(-c3[nH]c(SCc4ccccc4)nc3-c3ccc(F)cc3)ccn2)cc1

nearest known ligand 0.94

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.94
MAPK13 O15264 10/20 0.94
MAPK12 P53778 10/20 0.94
MAPK11 Q15759 10/20 0.94
GSK3B P49841 4/20 0.62
GSK3A P49840 1/20 0.57

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
SCHEMBL4474372 0.92 MAPK14 (0.93) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL4474257 0.88 MAPK14 (0.93) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL4467002 0.87 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL12424732 0.83 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL4460383 0.82 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL13712661 0.80 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL828140 0.80 MAPK14 (0.93) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6448163 0.79 MAPK14 (0.93) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL4466879 0.79 MAPK14 (0.94) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL4471594 0.78 MAPK14 (0.93) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582660-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics C-A-I-R BIOSCIENCES GMBH (DE) 2009-09-01 US disclosed
US-20060235054-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE-GMBH (DE) 2006-10-19 US disclosed
EP-1539741-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2005-06-15 EP disclosed
WO-2004018458-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE-GMBH (DE) 2004-03-04 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-20060235054-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics IL2, TPMT, IFNG MAPK14 3841/4885MAPK13 3803/4885MAPK12 3533/4885

“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.