SCHEMBL4906653

SCHEMBL4906653

FC(F)(F)c1cccc(-c2ncn(CC3CC3)c2-c2ccncc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.63
MAPK11 Q15759 8/20 0.63
MAPK13 O15264 7/20 0.63
MAPK12 P53778 7/20 0.63
RIPK3 Q9Y572 1/20 0.47
KDM4C Q9H3R0 4/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
CNR2 P34972 1/20 0.43
MAPK9 P45984 2/20 0.42
RAF1 P04049 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
FRK P42685 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3B P49841 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42
NPC1 O15118 1/20 0.40

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
SCHEMBL13038792 0.82 MAPK14 (0.76) MAPK14MAPK11MAPK13MAPK12KDM4C
SCHEMBL4915662 0.77 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12KDM4C
SCHEMBL27519536 0.77 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK12KDM4C
SCHEMBL4915990 0.77 MAPK14 (0.68) MAPK14MAPK11MAPK13MAPK12KDM4C
SCHEMBL4584739 0.77 MAPK13 (1.00) MAPK14MAPK11MAPK13MAPK12
SCHEMBL7613681 0.74 MAPK13 (0.94) MAPK14MAPK11MAPK13MAPK12
SCHEMBL8860549 0.72 MAPK13 (0.93) MAPK14MAPK11MAPK13MAPK12
SCHEMBL7609010 0.72 MAPK14 (0.81) MAPK14MAPK11MAPK13MAPK12KDM4C
SCHEMBL7673510 0.71 MAPK14 (0.57) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL30023277 0.70 MAPK14 (0.87) MAPK14MAPK11MAPK13MAPK12KDM4C

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 28 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
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-5670527-A CYTOKINE INHIBITORS USEFUL IN TREATING ASTHMA, OSTEOPOROSIS, ARTHRITIS, INFLAMMATION, SEPSIS, CARDIOVASCULAR DISORDERS, DIABETES, MULTIPLE SCLEROSIS, SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-23 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-5593992-A CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-14 US disclosed
US-5593991-A ANTIINFLAMMATORY, CYTOKINE INHIBITOR, CYCLOOXYGENASE INHIBITOR SMITHKLINE BEECHAM CORPORATION 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 36/4885MAPK11 39/4885MAPK13 34/4885
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS MAPK1, BMP2, MAPK3 MAPK14 23/4885MAPK11 37/4885MAPK13 15/4885
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase OPRK1, OPRL1, MAPK3 MAPK14 36/4885MAPK11 50/4885MAPK13 39/4885
US-20040171659-A1 Methods for treating diabetes SLC5A2, MAPK4, MAPK3 MAPK14 53/4885MAPK11 45/4885MAPK13 46/4885

“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.