SCHEMBL4265446

SCHEMBL4265446

Cc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)sc2-c2ccnc(S(=O)(=O)c3ccccc3)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.75
PTGS2 P35354 5/20 0.53
IKBKB O14920 1/20 0.43
MAPK13 O15264 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
EGFR P00533 1/20 0.43
MAPK1 P28482 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
FRK P42685 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
MAPK12 P53778 1/20 0.43
CSNK1G2 P78368 1/20 0.43
PTK6 Q13882 1/20 0.43
ERBB4 Q15303 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
SCHEMBL3890124 0.86 MAPK14 (1.00) MAPK14PTGS2
SCHEMBL3887574 0.85 MAPK14 (0.83) MAPK14PTGS2
SCHEMBL4258899 0.85 MAPK14 (0.75) MAPK14PTGS2
SCHEMBL29593759 0.84 MAPK14 (1.00) MAPK14PTGS2IKBKBMAPK13PRKD3
SCHEMBL4265458 0.84 MAPK14 (1.00) MAPK14PTGS2IKBKBMAPK13PRKD3
SCHEMBL3898491 0.83 MAPK14 (0.73) MAPK14PTGS2
SCHEMBL6280887 0.83 MAPK14 (1.00) MAPK14PTGS2
SCHEMBL4261017 0.83 MAPK14 (0.72) MAPK14PTGS2
SCHEMBL4266052 0.82 MAPK14 (1.00) MAPK14IKBKBMAPK13PRKD3MAP4K4
SCHEMBL4268190 0.82 MAPK14 (1.00) MAPK14PTGS2IKBKBMAPK13PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048307-A1 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of OHKAWA SHIGENORI 2009-02-19 US disclosed
US-7276527-B2 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-02 US disclosed
EP-1180518-B1 5-PYRIDYL-1,3-AZOLE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-01-17 EP disclosed
US-7101899-B1 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-05 US disclosed
US-20060135566-A1 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof OHKAWA SHIGENORI 2006-06-22 US disclosed
WO-2006006691-A2 SOLID DISPERSION OF A P38 MAP KINASE INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-19 WO disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1354603-A1 CONCOMITANT DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-22 EP disclosed
EP-1180518-A1 5-PYRIDYL-1,3-AZOLE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-02-20 EP 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 (4 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 MAPK14 50/4885PTGS2 57/4885IKBKB 119/4885
US-20060135566-A1 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof ADORA3, MAPK4, MAPK3 MAPK14 47/4885PTGS2 699/4885IKBKB 289/4885
US-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 MAPK14 29/4885PTGS2 109/4885IKBKB 25/4885
US-20090048307-A1 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of ADORA3, ADORA1, MAPK3 MAPK14 73/4885PTGS2 728/4885IKBKB 282/4885

“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.