SCHEMBL5412088

SCHEMBL5412088

O=C1CCc2cc(-c3nc(-c4ccccc4)[nH]c3-c3ccncc3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 17/20 0.61
MAPK12 P53778 17/20 0.61
MAPK11 Q15759 17/20 0.61
MAPK14 Q16539 17/20 0.61
RAF1 P04049 14/20 0.61
MAPK9 P45984 2/20 0.60
BRAF P15056 3/20 0.57
BRDT Q58F21 1/20 0.57
GCGR P47871 5/20 0.57
ALOX5 P09917 1/20 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
SCHEMBL5414626 0.90 CYP1A2 (0.61) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5420450 0.84 BRAF (0.68) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5420446 0.84 BRAF (0.68) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5126749 0.82 BRAF (0.48) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5410796 0.81 BRAF (0.77) RAF1BRAFALOX5
SCHEMBL5406008 0.81 CYP1A2 (0.44) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5402908 0.80 BRAF (0.71) RAF1BRAFALOX5
SCHEMBL5419052 0.80 BRAF (0.50) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6229238 0.79 BRAF (0.47) MAPK14RAF1BRAF
SCHEMBL5414747 0.77 BRAF (0.54) RAF1BRAFALOX5

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199137-B2 Imidazole derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM PLC (GB) 2007-04-03 US claimed
EP-1318992-B1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2005-07-27 EP claimed
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS DEAN DAVID K 2007-06-14 US disclosed
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS DEAN DAVID K 2007-06-14 US disclosed
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS DEAN DAVID K 2007-06-14 US disclosed
US-7199137-B2 Imidazole derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM PLC (GB) 2007-04-03 US disclosed
US-7199137-B2 Imidazole derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM PLC (GB) 2007-04-03 US disclosed
US-7199137-B2 Imidazole derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM PLC (GB) 2007-04-03 US disclosed
US-20050176740-A1 Cancer treatment method comprising administering an erb-family inhibitor and a raf and/or ras inhibitor SMITHKLINE BEECHAM CORPORATION 2005-08-11 US disclosed
EP-1318992-B1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2005-07-27 EP disclosed
US-20040038964-A1 Imidazole derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 US disclosed
CN-1471523-A Imidazole derivatives as Raf kinase inhibitors ʷ 2004-01-28 CN disclosed
EP-1318992-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP disclosed
WO-2002024680-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-28 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-20050176740-A1 Cancer treatment method comprising administering an erb-family inhibitor and a raf and/or ras inhibitor BRAF, KRAS, NRAS MAPK13 623/4885MAPK12 529/4885MAPK11 568/4885
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF MAPK13 80/4885MAPK12 108/4885MAPK11 111/4885
US-20040038964-A1 Imidazole derivatives as raf kinase inhibitors BRAF, RAF1, ARAF MAPK13 68/4885MAPK12 98/4885MAPK11 88/4885

“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.