SCHEMBL4586451

SCHEMBL4586451

COc1nccc(-c2[nH]c(-c3ccc([S+](C)[O-])cc3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.51
CSNK1D P48730 6/20 0.51
JAK3 P52333 1/20 0.51
MAPK11 Q15759 12/20 0.48
MAPK13 O15264 11/20 0.48
MAPK12 P53778 11/20 0.48
GCGR P47871 7/20 0.48
ALOX5 P09917 4/20 0.48
MAPK9 P45984 5/20 0.44
CSNK1A1 P48729 4/20 0.44
PRKD3 O94806 3/20 0.44
MAP4K4 O95819 3/20 0.44
FRK P42685 2/20 0.44
PRKD2 Q9BZL6 2/20 0.44
GSK3B P49841 1/20 0.44
PTK6 Q13882 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
PRKCA P17252 2/20 0.43
MINK1 Q8N4C8 2/20 0.43
MAP4K5 Q9Y4K4 2/20 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
SCHEMBL7201822 0.87 MAPK14 (0.47) MAPK14CSNK1DJAK3MAPK11MAPK13
SCHEMBL4586510 0.83 MAPK14 (0.61) MAPK14CSNK1DJAK3MAPK11MAPK13
SCHEMBL4553727 0.82 MAPK14 (0.59) MAPK14CSNK1DJAK3MAPK11MAPK13
SCHEMBL6471800 0.81 MAPK14 (0.49) MAPK14CSNK1DJAK3MAPK11MAPK13
SCHEMBL29406707 0.81 TGFBR1 (0.64) MAPK14CSNK1DJAK3MAPK11MAPK13
SCHEMBL4585785 0.80 ALOX5 (0.64) MAPK14CSNK1DJAK3MAPK11MAPK13
SCHEMBL9192799 0.78 MAPK11 (0.75) MAPK14CSNK1DMAPK11MAPK13MAPK12
Sb-203580 SCHEMBL146399 0.78 MAPK11 (0.75) MAPK14CSNK1DMAPK11MAPK13MAPK12
Sb-203580 SCHEMBL27075368 0.78 MAPK11 (0.75) MAPK14CSNK1DMAPK11MAPK13MAPK12
Sb-203580 SCHEMBL220990 0.78 MAPK11 (0.75) MAPK14CSNK1DMAPK11MAPK13MAPK12

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539121-A4 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC (US) 2008-08-13 EP disclosed
EP-1545535-A4 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC (US) 2008-06-04 EP disclosed
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS PROTTER ANDREW A 2008-05-08 US disclosed
EP-1583535-A4 METHODS FOR TREATING DIABETES SCIOS INC (US) 2008-03-19 EP disclosed
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase PROTTER ANDREW A 2008-02-14 US disclosed
US-7268139-B2 Methods of promoting osteogenesis SCIOS, INC. (US) 2007-09-11 US disclosed
US-7244441-B2 Stents and intra-luminal prostheses containing map kinase inhibitors SCIOS, INC. (US) 2007-07-17 US disclosed
EP-1676574-A2 Methods for promoting survival of transplanted tissues and cells Johnson & Johnson Vision Care, Inc. (US) 2006-07-05 EP disclosed
US-20060019971-A1 Treatment of cardiovascular disease with inhibitors of p38 kinase SCIOS INC. 2006-01-26 US disclosed
EP-1583535-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2005-10-12 EP disclosed
US-20040162289-A1 Methods of promoting osteogenesis UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2004-08-19 US disclosed
US-20040122008-A1 Treatment of pain by inhibition of p38 MAP kinase SCIOS, INC. 2004-06-24 US disclosed
WO-2004053107-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2004-06-24 WO disclosed
WO-2004024083-A2 METHODS OF BONE HEALING UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2004-03-25 WO disclosed
WO-2004021988-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2004-03-18 WO disclosed
WO-2004019873-A2 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC. (US) 2004-03-11 WO disclosed
US-6610695-B1 Prophylaxis or treatment of CSBP/RK/p38 kinase mediated disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US disclosed
EP-0994870-A4 NOVEL ARYLOXY SUBSTITUTED PYRIMIDINE IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM (US) 2002-10-23 EP disclosed
EP-0994870-A1 NOVEL ARYLOXY SUBSTITUTED PYRIMIDINE IMIDAZOLE COMPOUNDS Smithkline Beecham (US) 2000-04-26 EP disclosed
WO-1998057966-A1 NOVEL ARYLOXY SUBSTITUTED PYRIMIDINE IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-23 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 (5 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-20060019971-A1 Treatment of cardiovascular disease with inhibitors of p38 kinase MAPKAPK5, MAPK1, MAPKAPK2 MAPK14 36/4885CSNK1D 853/4885JAK3 761/4885
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS MAPK1, BMP2, MAPK3 MAPK14 23/4885CSNK1D 3484/4885JAK3 323/4885
US-20040162289-A1 Methods of promoting osteogenesis MAPK1, BMP2, MAPK3 MAPK14 23/4885CSNK1D 3484/4885JAK3 323/4885
US-20040122008-A1 Treatment of pain by inhibition of p38 MAP kinase OPRK1, OPRL1, MAPK3 MAPK14 36/4885CSNK1D 505/4885JAK3 2216/4885
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase OPRK1, OPRL1, MAPK3 MAPK14 36/4885CSNK1D 505/4885JAK3 2216/4885

“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.