SCHEMBL4552561

SCHEMBL4552561

c1ccc(-c2nc(-c3ccccc3)c(-c3ccncn3)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 1.00
MAPK13 O15264 16/20 1.00
MAPK12 P53778 16/20 1.00
MAPK11 Q15759 16/20 1.00
RAF1 P04049 11/20 1.00
MAPK9 P45984 4/20 1.00
BRAF P15056 3/20 0.71
GCGR P47871 4/20 0.56
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
SCHEMBL4975933 0.92 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4551941 0.88 MAPK13 (0.78) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5613054 0.85 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL14283523 0.81 MAPK13 (0.70) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL68940 0.80 MAPK13 (0.64) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7228717 0.79 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL2949385 0.79 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4553291 0.77 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL18292652 0.76 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL104130 0.76 MAPK13 (0.82) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678163-B1 NOVEL IMIDAZOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
US-7169781-B2 Imidazole derivatives and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-01-30 US disclosed
CN-1867563-A Novel imidazole derivatives and their use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2006-11-22 CN disclosed
EP-1678163-A1 NOVEL IMIDAZOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-12 EP disclosed
US-20050113342-A1 Novel imidazole derivatives and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-26 US disclosed
WO-2005040154-A1 NOVEL IMIDAZOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 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-20050113342-A1 Novel imidazole derivatives and their use as pharmaceutical agents TUBB6, ABCB1, SDHA MAPK14 1441/4885MAPK13 1842/4885MAPK12 2452/4885

“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.