SCHEMBL1389121

SCHEMBL1389121

C[S+]([O-])c1cccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.67
MAPK11 Q15759 13/20 0.67
MAPK13 O15264 12/20 0.67
GCGR P47871 12/20 0.67
MAPK12 P53778 12/20 0.67
ALOX5 P09917 11/20 0.66
CSNK1D P48730 5/20 0.63
CSNK1A1 P48729 4/20 0.63
PRKD3 O94806 3/20 0.63
MAP4K4 O95819 3/20 0.63
FRK P42685 3/20 0.63
MAPK9 P45984 3/20 0.63
GSK3B P49841 3/20 0.63
CLK4 Q9HAZ1 3/20 0.63
PTK6 Q13882 2/20 0.63
PRKD2 Q9BZL6 2/20 0.63
CSNK1E P49674 3/20 0.59
ALDH1A1 P00352 2/20 0.57
CSNK1A1L Q8N752 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
Sb-203580 SCHEMBL146399 0.87 MAPK11 (0.75) MAPK14MAPK11MAPK13GCGRMAPK12
Sb-203580 SCHEMBL27075368 0.87 MAPK11 (0.75) MAPK14MAPK11MAPK13GCGRMAPK12
Sb-203580 SCHEMBL220990 0.87 MAPK11 (0.75) MAPK14MAPK11MAPK13GCGRMAPK12
Sb-203580 SCHEMBL25800837 0.87 MAPK11 (0.75) MAPK14MAPK11MAPK13GCGRMAPK12
Sb-203580 SCHEMBL95208 0.87 MAPK11 (0.75) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL9192799 0.87 MAPK11 (0.75) MAPK14MAPK11MAPK13GCGRMAPK12
Sb-203580 SCHEMBL4890447 0.86 MAPK11 (0.73) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL6447875 0.81 MAPK13 (0.72) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL6249453 0.81 MAPK11 (0.56) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL2648558 0.80 MAPK14 (0.74) MAPK14MAPK11MAPK13GCGRMAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889887-A4 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORP (US) 2003-06-11 EP claimed
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-6235760-B1 CENTRAL NERVOUS SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2001-05-22 US claimed
EP-0906099-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP claimed
EP-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 EP claimed
EP-0889887-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1999-01-13 EP claimed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO claimed
WO-1997035855-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO claimed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US claimed
JP-H09500137-A 1997-01-07 JP claimed
EP-0708768-A4 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORP (US) 1996-08-21 EP claimed
EP-0708768-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1996-05-01 EP claimed
WO-1995002591-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 WO 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-0708768-A4 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORP (US) 1996-08-21 EP disclosed
EP-0708768-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1996-05-01 EP disclosed
WO-1995003297-A1 IMIDAZOLES FOR TREATING CYTOKINE MEDIATED DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1995-02-02 WO disclosed
WO-1995002591-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 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 (1 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 MAPK14 69/4885MAPK11 71/4885MAPK13 66/4885

“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.