SCHEMBL4552840

SCHEMBL4552840

Oc1c(Br)cc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1Br

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.74
MAPK13 O15264 16/20 0.71
MAPK12 P53778 16/20 0.71
MAPK11 Q15759 16/20 0.71
MAPK14 Q16539 16/20 0.71
GCGR P47871 15/20 0.71
PRKD3 O94806 2/20 0.71
MAP4K4 O95819 2/20 0.71
FRK P42685 2/20 0.71
MAPK9 P45984 2/20 0.71
CSNK1A1 P48729 2/20 0.71
CSNK1D P48730 2/20 0.71
GSK3B P49841 2/20 0.71
PTK6 Q13882 2/20 0.71
CLK4 Q9HAZ1 2/20 0.71
PRKD2 Q9BZL6 1/20 0.71
KDM4E B2RXH2 1/20 0.70
CIT O14578 1/20 0.70
GAK O14976 1/20 0.70
RIPK2 O43353 1/20 0.70

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
SCHEMBL5698702 1.00 ALOX5 (0.74) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL2648968 0.86 MAPK14 (0.72) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL4553131 0.85 ALOX5 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL15075603 0.84 MAPK11 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL19868925 0.84 MAPK11 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
Sb-202190 SCHEMBL158854 0.83 MAPK13 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL9195650 0.83 MAPK13 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
Sb-202190 SCHEMBL3386753 0.83 MAPK13 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL2648930 0.83 MAPK13 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL6465326 0.82 MAPK13 (0.74) ALOX5MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288089-B1 ADMINISTERING A COMPOSITION OF PYRIDYL IMIDAZOLE COMPOUNDS TO TREAT PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, ALZHEIMER'S DISEASE, AND AMYOTOPHIC LATERAL SCLEROSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-09-11 US claimed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US claimed
EP-1487436-A4 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS SIGNAL PHARM INC (US) 2009-06-03 EP disclosed
US-7351729-B2 JNK inhibitors for use in combination therapy for treating or managing proliferative disorders and cancers SIGNAL PHARMACEUTICALS, LLC (US) 2008-04-01 US disclosed
US-20070149571-A1 Combination therapy for treating or managing acute myelocytic leukemia SIGNAL PHARMACEUTICALS, LLC 2007-06-28 US disclosed
EP-0943616-B1 Substituted imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP 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
EP-1487436-A1 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS Signal Pharmaceuticals, Inc. (US) 2004-12-22 EP disclosed
EP-0623126-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP disclosed
US-20040106793-A1 Oxazoles for treating cytokine mediated diseases SMITHKLINE BEECHAM CORPORATION 2004-06-03 US disclosed
US-20040067953-A1 Combination therapy for treating, preventing or managing proliferative disorders and cancers SIGNAL PHARMACEUTICALS, LLC 2004-04-08 US disclosed
EP-0708768-A4 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORP (US) 1996-08-21 EP disclosed
EP-0724588-A1 DRUG BINDING PROTEIN SMITHKLINE BEECHAM CORPORATION (US) 1996-08-07 EP disclosed
EP-0708768-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1996-05-01 EP disclosed
WO-1995031451-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-11-23 WO disclosed
WO-1995013067-A1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-05-18 WO disclosed
WO-1995007922-A1 DRUG BINDING PROTEIN SMITHKLINE BEECHAM CORPORATION (US) 1995-03-23 WO disclosed
WO-1995002591-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 WO disclosed
EP-0623126-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-11-09 EP disclosed
WO-1993014081-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 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 (3 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-20070149571-A1 Combination therapy for treating or managing acute myelocytic leukemia MCL1, ATF1, MAP3K5 ALOX5 2131/4885MAPK13 66/4885MAPK12 59/4885
US-20040106793-A1 Oxazoles for treating cytokine mediated diseases IL2, IL17A, IL5 ALOX5 176/4885MAPK13 1607/4885MAPK12 1505/4885
US-20040067953-A1 Combination therapy for treating, preventing or managing proliferative disorders and cancers MAP3K1, MAP3K2, MAP2K2 ALOX5 2726/4885MAPK13 54/4885MAPK12 56/4885

“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.