SCHEMBL5198449

SCHEMBL5198449

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.42
AKT1 P31749 2/20 0.40
MAPK14 Q16539 5/20 0.39
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
GCGR P47871 2/20 0.36
OPRL1 P41146 2/20 0.36
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TEK Q02763 1/20 0.35
S1PR1 P21453 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
LSS P48449 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
SCHEMBL5200392 0.89 MAPK14 (0.41) AAK1AKT1MAPK14MAPK13MAPK12
SCHEMBL5199937 0.87 MAPK14 (0.42) AAK1AKT1MAPK14MAPK13MAPK12
SCHEMBL5196936 0.80 MAPK14 (0.40) AKT1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5199024 0.78 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5197184 0.77 MAPK14 (0.43) AKT1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5197480 0.75 MAPK14 (0.38) AKT1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5198429 0.75 MAPK14 (0.43) AKT1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5199032 0.75 GCGR (0.43) AKT1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5194025 0.75 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5196158 0.75 LSS (0.34) MAPK14MAPK13MAPK12MAPK11CNR1

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 AAK1 1797/4885AKT1 3000/4885MAPK14 2620/4885

“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.