SCHEMBL5196834

SCHEMBL5196834

C=CCn1c(-c2c(C)cc(C)cc2C)nc(-c2ccncc2)c1-c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK14 Q16539 8/20 0.42
MAPK11 Q15759 6/20 0.42
MAPK13 O15264 5/20 0.42
MAPK12 P53778 5/20 0.42
POLB P06746 2/20 0.38
NSD3 Q9BZ95 1/20 0.37
TEK Q02763 3/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 2/20 0.34
GCGR P47871 2/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL5198537 0.92 ALDH1A1 (0.37) NPSR1KDM4EMAPK14MAPK11MAPK13
SCHEMBL5197958 0.91 MAPK14 (0.38) NPSR1KDM4EMAPK14MAPK11MAPK13
SCHEMBL5185055 0.85 TEK (0.48) MAPK14MAPK11MAPK13MAPK12NSD3
SCHEMBL5198719 0.84 NPSR1 (0.44) NPSR1KDM4EMAPK14MAPK11MAPK13
SCHEMBL5194635 0.83 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12NSD3
SCHEMBL5226965 0.81 TEK (0.43) MAPK14MAPK11MAPK13MAPK12NSD3
SCHEMBL5194905 0.79 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12TEK
SCHEMBL5196919 0.78 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12TEK
SCHEMBL5197084 0.78 TEK (0.46) MAPK14MAPK11MAPK13MAPK12NSD3
SCHEMBL5197308 0.77 TEK (0.45) MAPK14MAPK11MAPK13MAPK12NSD3

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 6 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
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 NPSR1 154/4885KDM4E 1285/4885MAPK14 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.