SCHEMBL4462969

SCHEMBL4462969

COc1cc(-c2[nH]c(=S)[nH]c2-c2ccc(F)cc2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.59
MAPK13 O15264 7/20 0.59
MAPK12 P53778 7/20 0.59
MAPK11 Q15759 7/20 0.59
GCGR P47871 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
IDO1 P14902 1/20 0.40
GRM5 P41594 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
ALOX5 P09917 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
SCHEMBL4466663 0.85 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL828544 0.81 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4096702 0.78 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4472359 0.78 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL828252 0.78 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1150867 0.75 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5255511 0.75 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL828385 0.75 MAPK14 (0.65) MAPK14
SCHEMBL828605 0.75 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4474349 0.75 MAPK14 (0.91) 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.