SCHEMBL5197690

SCHEMBL5197690

CCn1c(-c2ccccc2Br)nc(-c2ccncc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.44
GCGR P47871 6/20 0.44
FABP4 P15090 2/20 0.41
FABP5 Q01469 1/20 0.41
TEK Q02763 1/20 0.40
IDO1 P14902 2/20 0.39
MAPK13 O15264 5/20 0.38
MAPK12 P53778 5/20 0.38
MAPK11 Q15759 5/20 0.38
RAF1 P04049 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 1/20 0.35
NR1H3 Q13133 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL5200226 0.88 FABP4 (0.43) MAPK14GCGRFABP4FABP5TEK
SCHEMBL5198855 0.88 TEK (0.44) MAPK14GCGRFABP4FABP5TEK
Methyl Alcohol SCHEMBL27727314 0.86 FABP4 (0.53) MAPK14GCGRFABP4FABP5TEK
SCHEMBL5198712 0.84 TEK (0.48) MAPK14GCGRFABP4FABP5TEK
SCHEMBL5197184 0.83 MAPK14 (0.43) MAPK14GCGRTEKMAPK13MAPK12
SCHEMBL5196973 0.81 FABP4 (0.40) MAPK14GCGRFABP4FABP5TEK
SCHEMBL5197144 0.81 TEK (0.41) MAPK14GCGRFABP4FABP5TEK
SCHEMBL5194034 0.80 TEK (0.42) MAPK14GCGRFABP4FABP5TEK
SCHEMBL5198874 0.80 TEK (0.42) MAPK14GCGRFABP4FABP5TEK
SCHEMBL5200686 0.79 KDM4E (0.49) MAPK14GCGRTEKMAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101155796-A Imidazole derivatives HOFFMANN LA ROCHE (CH) 2008-04-02 CN claimed
EP-1846389-A1 IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-24 EP claimed
WO-2006082002-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO claimed
US-20060173048-A1 Imidazole derivatives F. HOFFMAN-LA ROCHE AG (CH) 2006-08-03 US claimed
CN-101155796-A Imidazole derivatives HOFFMANN LA ROCHE (CH) 2008-04-02 CN disclosed
EP-1846389-A1 IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-24 EP disclosed
WO-2006082002-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060173048-A1 Imidazole derivatives F. HOFFMAN-LA ROCHE AG (CH) 2006-08-03 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-20060173048-A1 Imidazole derivatives GRM2, GRM1, GRIN2C MAPK14 2620/4885GCGR 271/4885FABP4 3933/4885

“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.