SCHEMBL4908447

SCHEMBL4908447

CN(CCCn1cnc(-c2cccc([S+](C)[O-])c2)c1-c1ccncc1)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.67
MAPK13 O15264 16/20 0.67
MAPK12 P53778 16/20 0.67
MAPK11 Q15759 16/20 0.67
MAP4K4 O95819 2/20 0.48
MAPK9 P45984 2/20 0.48
CSNK1A1 P48729 2/20 0.48
CSNK1D P48730 2/20 0.48
MAP4K5 Q9Y4K4 2/20 0.48
PRKD3 O94806 1/20 0.48
FRK P42685 1/20 0.48
GSK3B P49841 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
NSD3 Q9BZ95 1/20 0.39
CDC42BPA Q5VT25 1/20 0.38
AURKB Q96GD4 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL8860449 0.96 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL4917990 0.84 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL6846961 0.81 MAPK13 (0.76) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL4915616 0.80 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL8860204 0.80 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL6844335 0.78 MAPK13 (0.71) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL6847077 0.77 MAPK13 (0.70) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL5566483 0.76 MAPK13 (0.72) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1387897 0.75 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6419816 0.75 NSD3 (0.62) MAPK14MAPK13MAPK12MAPK11MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708768-B1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP claimed
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS PROTTER ANDREW A 2008-05-08 US 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
US-20050129729-A1 Stents and intra-luminal prostheses containing map kinase inhibitors SCIOS, INC. 2005-06-16 US disclosed
EP-1291346-B1 Process for the preparation of trisubstituted imidazole compounds with multiple therapeutic properties SMITHKLINE BEECHAM CORP (US) 2005-03-23 EP disclosed
US-20040171659-A1 Methods for treating diabetes SCIOS, INC. 2004-09-02 US disclosed
EP-1227092-A2 Isonitrile intermediates for the preparation of tri-substituted imidazole compounds with multiple therapeutic properties SmithKline Beecham Corporation (US) 2002-07-31 EP disclosed
US-6387898-B1 USING IMIDAZOLE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-05-14 US disclosed
US-6222036-B1 REACTING 2-THIO-4-DIMETHYOXYMETHYL-PYRIMIDINE WITH ACETIC ACID AND CATALYTIC AMOUNT OF CONCETRATED SULFURIC ACID TO PRODUCE 2-THIOPYRIMIDINE ALDEHYDE SMITHKLINE BEECHAM CORPORATION 2001-04-24 US disclosed
US-6150557-A REACTING COMPOUND CONTAINING SECONDARY AMIDE GROUPS WITH BENZENESULFINIC ACID OR ITS DERIVATIVE IN PRESENCE OF ACID CATALYST SMITHKLINE BEECHAM CORPORATION (US) 2000-11-21 US disclosed
US-6103936-A REACTING ALDEHYDE, SULFIDE, SULFONE, OR SULFOXIDE WITH FORMAMIDE IN PRESENCE OF ACID CATALYST, AND OPTIONALLY A DEHYDRATING AGENT SMITHKLINE BEECHAM CORPORATION (US) 2000-08-15 US disclosed
US-6096739-A Treatment for CNS injuries SMITHKLINE BEECHAM CORPORATION (US) 2000-08-01 US disclosed
US-5969184-A INTERMEDIATES FOR COMPOUNDS WHICH CONTROL PRODUCTION OF EXCESSIVE INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORPORATION (US) 1999-10-19 US disclosed
US-5663334-A CYTOKINE INHIBITORS FORMED BY REACTION OF IMINE WITH SULFUR SUBSTITUTED NITRILE SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 US disclosed
US-5593991-A ANTIINFLAMMATORY, CYTOKINE INHIBITOR, CYCLOOXYGENASE INHIBITOR SMITHKLINE BEECHAM CORPORATION 1997-01-14 US disclosed
US-5593992-A CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-14 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 (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-20060019971-A1 Treatment of cardiovascular disease with inhibitors of p38 kinase MAPKAPK5, MAPK1, MAPKAPK2 MAPK14 36/4885MAPK13 34/4885MAPK12 27/4885
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS MAPK1, BMP2, MAPK3 MAPK14 23/4885MAPK13 15/4885MAPK12 30/4885
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase OPRK1, OPRL1, MAPK3 MAPK14 36/4885MAPK13 39/4885MAPK12 28/4885
US-20040171659-A1 Methods for treating diabetes SLC5A2, MAPK4, MAPK3 MAPK14 53/4885MAPK13 46/4885MAPK12 28/4885

“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.