SCHEMBL6606221

SCHEMBL6606221

CC[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 15/20 0.70
MAPK14 Q16539 15/20 0.70
MAPK13 O15264 14/20 0.70
MAPK12 P53778 14/20 0.70
GCGR P47871 13/20 0.70
CSNK1A1 P48729 5/20 0.70
CSNK1D P48730 5/20 0.70
PRKD3 O94806 4/20 0.70
MAP4K4 O95819 4/20 0.70
FRK P42685 4/20 0.70
MAPK9 P45984 4/20 0.70
GSK3B P49841 4/20 0.70
CLK4 Q9HAZ1 3/20 0.70
PTK6 Q13882 3/20 0.70
PRKD2 Q9BZL6 3/20 0.70
ALOX5 P09917 13/20 0.64
ALDH1A1 P00352 4/20 0.63
CSNK1E P49674 3/20 0.63
CSNK1A1L Q8N752 3/20 0.63
SMN1; SMN2 Q16637 1/20 0.63

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 SCHEMBL220990 0.87 MAPK11 (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL9192799 0.87 MAPK11 (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
Sb-203580 SCHEMBL25800837 0.87 MAPK11 (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
Sb-203580 SCHEMBL27075368 0.87 MAPK11 (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
Sb-203580 SCHEMBL146399 0.87 MAPK11 (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
Sb-203580 SCHEMBL95208 0.87 MAPK11 (0.75) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL20335254 0.87 MAPK11 (0.79) MAPK11MAPK14MAPK13MAPK12GCGR
Sb-203580 SCHEMBL4890447 0.86 MAPK11 (0.73) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL19868925 0.83 MAPK11 (1.00) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL15075603 0.83 MAPK11 (1.00) MAPK11MAPK14MAPK13MAPK12GCGR

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 11 patents. 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-0623126-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP disclosed
US-6645989-B2 Antiinflammatory agents SMITHKLINE BEECHAM CORPORATION 2003-11-11 US disclosed
US-20030064997-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2003-04-03 US disclosed
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 disclosed
US-6268370-B1 CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-07-31 US disclosed
US-6235760-B1 CENTRAL NERVOUS SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2001-05-22 US disclosed
US-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed
US-5686455-A Imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-11-11 US disclosed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 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 (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-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 MAPK11 2198/4885MAPK14 3769/4885MAPK13 2219/4885

“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.