SCHEMBL5198712

SCHEMBL5198712

CCn1c(-c2ccccc2)nc(-c2ccncc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 1/20 0.48
▸ NR1H3 Q13133 1/20 0.47
▸ MAPK13 O15264 3/20 0.46
▸ MAPK12 P53778 3/20 0.46
▸ MAPK11 Q15759 3/20 0.46
▸ MAPK14 Q16539 3/20 0.46
▸ RAF1 P04049 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GCGR P47871 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ BCHE P06276 3/20 0.43
▸ FABP4 P15090 2/20 0.43
▸ FABP5 Q01469 1/20 0.43
▸ IDO1 P14902 1/20 0.42

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
SCHEMBL28008186 0.92 MEN1 (0.51) TEKMAPK13MAPK12MAPK11MAPK14
Methyl Alcohol SCHEMBL27727314 0.89 FABP4 (0.53) TEKNR1H3MAPK13MAPK12MAPK11
SCHEMBL5197416 0.89 MEN1 (0.54) TEKMAPK13MAPK12MAPK11MAPK14
SCHEMBL5196144 0.88 MAPK13 (0.68) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5198855 0.86 TEK (0.44) TEKMAPK13MAPK12MAPK11MAPK14
SCHEMBL5200226 0.86 FABP4 (0.43) TEKMAPK13MAPK12MAPK11MAPK14
SCHEMBL5194034 0.85 TEK (0.42) TEKMAPK13MAPK12MAPK11MAPK14
SCHEMBL5198874 0.85 TEK (0.42) TEKMAPK13MAPK12MAPK11MAPK14
SCHEMBL5197690 0.84 MAPK14 (0.44) TEKNR1H3MAPK13MAPK12MAPK11
SCHEMBL5196849 0.82 TEK (0.40) TEKMAPK13MAPK12MAPK11MAPK14

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 TEK 3703/4885NR1H3 372/4885MAPK13 2722/4885

“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.

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