SCHEMBL4413641

SCHEMBL4413641

Clc1cccc(Cl)c1-c1nc(-c2ccccc2)c(-c2ccncc2)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.70
MAPK13 O15264 17/20 0.70
MAPK12 P53778 17/20 0.70
MAPK11 Q15759 17/20 0.70
RAF1 P04049 11/20 0.70
MAPK9 P45984 1/20 0.70
GCGR P47871 6/20 0.67
TEK Q02763 1/20 0.63
BRAF P15056 3/20 0.61
ALOX5 P09917 1/20 0.60
BRDT Q58F21 1/20 0.58
CSNK1D P48730 1/20 0.58
CSNK1E P49674 1/20 0.58

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
SCHEMBL11633700 0.93 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5183702 0.90 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL28397209 0.89 MAPK13 (0.71) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5194917 0.88 TEK (0.66) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL17002231 0.88 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6468974 0.86 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6466301 0.85 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL2949385 0.83 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7228717 0.83 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5613054 0.83 MAPK14 (0.74) 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 16 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
EP-1499577-B1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES HOFFMANN LA ROCHE (CH) 2007-05-30 EP disclosed
US-7169781-B2 Imidazole derivatives and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-01-30 US disclosed
US-7144889-B2 Triarylimidazoles HOFFMAN-LA ROCHE INC. (US) 2006-12-05 US disclosed
EP-1678163-A1 NOVEL IMIDAZOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-12 EP disclosed
EP-1675848-A1 NOVEL TRIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-05 EP disclosed
US-6946471-B2 2-(2,6-Dichlorophenyl)-Diarylimidazoles HOFFMANN-LA ROCHE INC. (US) 2005-09-20 US disclosed
US-20050113342-A1 Novel imidazole derivatives and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-26 US disclosed
WO-2005040153-A1 NOVEL TRIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
WO-2005040154-A1 NOVEL IMIDAZOLE DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
US-20050085473-A1 Novel triarylimidazoles HOFFMANN-LA ROCHE INC. 2005-04-21 US disclosed
EP-1499577-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-26 EP disclosed
US-20040214874-A1 2-(2,6-Dichlorophenyl)-Diarylimidazoles BRANDT MICHAEL 2004-10-28 US disclosed
US-6790852-B2 HETEROCYCLIC NITROGEN COMPOUNDS SUCH AS 2-(2,6-DICHLOROPHENYL) -4-(3-BROMOPHENYL)-5-(2-(3- HYDROXYPROPYLAMINO)PYRIMIDIN-4-YL) -N-H-IMIDAZOLE, USED AS TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC OR ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2004-09-14 US disclosed
US-20030199691-A1 2-(2,6-dichlorophenyl)-diarylimidazoles F. HOFFMANN-LA ROCHE AG (CH) 2003-10-23 US disclosed
WO-2003087026-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-23 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 (4 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-20050085473-A1 Novel triarylimidazoles AURKAIP1, GLS2, GOT2 MAPK14 2514/4885MAPK13 2770/4885MAPK12 3059/4885
US-20050113342-A1 Novel imidazole derivatives and their use as pharmaceutical agents TUBB6, ABCB1, SDHA MAPK14 1441/4885MAPK13 1842/4885MAPK12 2452/4885
US-20030199691-A1 2-(2,6-dichlorophenyl)-diarylimidazoles CYP2D6, CYP2F1, CYP1A2 MAPK14 3521/4885MAPK13 3905/4885MAPK12 3572/4885
US-20040214874-A1 2-(2,6-Dichlorophenyl)-Diarylimidazoles CYP2D6, CYP1A2, CYP2F1 MAPK14 3251/4885MAPK13 3695/4885MAPK12 3264/4885

“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.