SCHEMBL6606327

SCHEMBL6606327

CCc1csc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 14/20 0.71
GCGR P47871 14/20 0.71
MAPK12 P53778 14/20 0.71
MAPK11 Q15759 14/20 0.71
MAPK14 Q16539 14/20 0.71
PRKD3 O94806 3/20 0.61
MAP4K4 O95819 3/20 0.61
FRK P42685 3/20 0.61
MAPK9 P45984 3/20 0.61
CSNK1A1 P48729 3/20 0.61
CSNK1D P48730 3/20 0.61
GSK3B P49841 3/20 0.61
CLK4 Q9HAZ1 3/20 0.61
PTK6 Q13882 2/20 0.61
PRKD2 Q9BZL6 2/20 0.61
ALOX5 P09917 10/20 0.58
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56

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
SCHEMBL4553347 0.85 MAPK14 (0.76) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL2648992 0.83 MAPK14 (1.00) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL2649680 0.83 MAPK11 (0.79) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL19869017 0.81 MAPK14 (0.69) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL2648877 0.80 GCGR (0.61) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL6448187 0.78 MAPT (0.90) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL15075603 0.77 MAPK11 (1.00) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL19868925 0.77 MAPK11 (1.00) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL2650684 0.74 MAPK11 (1.00) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL2649632 0.74 MAPK14 (1.00) MAPK13GCGRMAPK12MAPK11MAPK14

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
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-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
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 (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 MAPK13 2219/4885GCGR 2078/4885MAPK12 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.