SCHEMBL5199032

SCHEMBL5199032

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.43
MAPK14 Q16539 9/20 0.42
MAPK11 Q15759 8/20 0.42
MAPK13 O15264 7/20 0.42
MAPK12 P53778 7/20 0.42
CNR1 P21554 1/20 0.38
LMNA P02545 1/20 0.38
GFER P55789 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AKT1 P31749 1/20 0.38
TEK Q02763 1/20 0.38
LSS P48449 1/20 0.38
OPRL1 P41146 1/20 0.36
RAF1 P04049 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5199146 0.86 MAPK14 (0.40) GCGRMAPK14MAPK11MAPK13MAPK12
SCHEMBL5197480 0.84 MAPK14 (0.38) GCGRMAPK14MAPK11MAPK13MAPK12
SCHEMBL5199024 0.82 MAPK14 (0.44) GCGRMAPK14MAPK11MAPK13MAPK12
SCHEMBL5199808 0.82 OPRL1 (0.38) GCGRMAPK14MAPK11MAPK13MAPK12
SCHEMBL5194594 0.81 MAPK14 (0.36) GCGRMAPK14MAPK11MAPK13MAPK12
SCHEMBL5197184 0.81 MAPK14 (0.43) GCGRMAPK14MAPK11MAPK13MAPK12
SCHEMBL5184567 0.81 NPSR1 (0.39) GCGRMAPK14MAPK11MAPK13MAPK12
SCHEMBL5200392 0.78 MAPK14 (0.41) GCGRMAPK14MAPK11MAPK13MAPK12
SCHEMBL5198712 0.78 TEK (0.48) GCGRMAPK14MAPK11MAPK13MAPK12
SCHEMBL5184902 0.77 CYP19A1 (0.43) GCGRMAPK14MAPK11MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GCGR 271/4885MAPK14 2620/4885MAPK11 2098/4885

“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.