SCHEMBL4463764

SCHEMBL4463764

CSc1nc(-c2ccc(F)cc2)c(-c2cc[nH]c(=O)c2)[nH]1

nearest known ligand 0.91

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.91
MAPK13 O15264 7/20 0.91
MAPK12 P53778 7/20 0.91
MAPK11 Q15759 7/20 0.91
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
GSK3B P49841 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL4091788 0.83 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL5762007 0.82 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL4105858 0.81 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL5759775 0.80 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5762949 0.79 MAPK13 (0.62) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5763554 0.78 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4102731 0.78 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL3231109 0.77 MAPK14 (0.92) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL4102181 0.77 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL4097170 0.76 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11PTGS1

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.