SCHEMBL6609281

SCHEMBL6609281

COc1cccc(-c2nc(-c3ccc(SC)cc3)[nH]c2-c2ccncc2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.79
MAPK13 O15264 6/20 0.79
MAPK12 P53778 6/20 0.79
MAPK11 Q15759 6/20 0.79
RAF1 P04049 2/20 0.79
ALOX5 P09917 7/20 0.72
TEK Q02763 7/20 0.64
GCGR P47871 3/20 0.63
CSNK1D P48730 2/20 0.63
PRKD3 O94806 1/20 0.63
MAP4K4 O95819 1/20 0.63
LCK P06239 1/20 0.63
RET P07949 1/20 0.63
PRKACA P17612 1/20 0.63
RPS6KB1 P23443 1/20 0.63
MATK P42679 1/20 0.63
FRK P42685 1/20 0.63
MAPK9 P45984 1/20 0.63
CSNK1A1 P48729 1/20 0.63
GSK3A P49840 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
SCHEMBL5078082 0.88 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6449407 0.85 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4552010 0.84 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4553529 0.84 ALOX5 (1.00) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6923101 0.84 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6469927 0.83 MAPK14 (0.90) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6468970 0.83 MAPK13 (0.79) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4552055 0.83 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6467858 0.82 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6467001 0.82 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11RAF1

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 10 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
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 MAPK14 3769/4885MAPK13 2219/4885MAPK12 3250/4885

“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.