SCHEMBL6129050

SCHEMBL6129050

C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc(-c4c(Cl)cccc4Cl)c3)[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 15/20 0.49
▸ MAPK11 Q15759 14/20 0.49
▸ MAPK13 O15264 13/20 0.49
▸ GCGR P47871 13/20 0.49
▸ MAPK12 P53778 13/20 0.49
▸ CSNK1D P48730 4/20 0.46
▸ CSNK1A1 P48729 3/20 0.46
▸ PRKD3 O94806 2/20 0.46
▸ MAP4K4 O95819 2/20 0.46
▸ FRK P42685 2/20 0.46
▸ MAPK9 P45984 2/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ PRKD2 Q9BZL6 2/20 0.46
▸ CLK4 Q9HAZ1 2/20 0.46
▸ PTK6 Q13882 1/20 0.46
▸ ALOX5 P09917 10/20 0.45
▸ CSNK1E P49674 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CSNK1A1L Q8N752 1/20 0.43

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
SCHEMBL9198096 0.82 MAPK11 (0.65) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL6605606 0.82 MAPK11 (0.65) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL29406707 0.79 TGFBR1 (0.64) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL9192799 0.78 MAPK11 (0.75) MAPK14MAPK11MAPK13GCGRMAPK12
Sb-203580 SCHEMBL146399 0.78 MAPK11 (0.75) MAPK14MAPK11MAPK13GCGRMAPK12
Sb-203580 SCHEMBL25800837 0.78 MAPK11 (0.75) MAPK14MAPK11MAPK13GCGRMAPK12
Sb-203580 SCHEMBL95208 0.78 MAPK11 (0.75) MAPK14MAPK11MAPK13GCGRMAPK12
Sb-203580 SCHEMBL220990 0.78 MAPK11 (0.75) MAPK14MAPK11MAPK13GCGRMAPK12
Sb-203580 SCHEMBL27075368 0.78 MAPK11 (0.75) MAPK14MAPK11MAPK13GCGRMAPK12
Sb-203580 SCHEMBL4890447 0.77 MAPK11 (0.73) MAPK14MAPK11MAPK13GCGRMAPK12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043212-A1 Differential inhibition of p38 map kinase isoforms SCIOS, INC. 2005-02-24 — — US 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-20050043212-A1 Differential inhibition of p38 map kinase isoforms MAP2K2, MAP2K5, MAP2K7 MAPK14 35/4885MAPK11 43/4885MAPK13 47/4885

“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.

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