SCHEMBL5199088

SCHEMBL5199088

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 3/20 0.45
KIF11 P52732 1/20 0.42
HPGD P15428 3/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK14 Q16539 8/20 0.38
MAPK13 O15264 6/20 0.38
MAPK12 P53778 6/20 0.38
MAPK11 Q15759 6/20 0.38
GCGR P47871 3/20 0.37
NSD3 Q9BZ95 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 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
SCHEMBL5197308 0.92 TEK (0.45) TEKKIF11MAPK14MAPK13MAPK12
SCHEMBL5185055 0.89 TEK (0.48) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5196919 0.86 MAPK14 (0.52) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5197084 0.86 TEK (0.46) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5196775 0.82 MAPK14 (0.50) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5194635 0.80 MAPK14 (0.50) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5197958 0.79 MAPK14 (0.38) TEKKIF11KDM4EMAPK14MAPK13
SCHEMBL12152217 0.78 ALDH1A1 (0.43) TEKHPGDHTTALDH1A1HSD17B10
SCHEMBL5226965 0.77 TEK (0.43) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5196834 0.76 NPSR1 (0.43) TEKHPGDHTTALDH1A1KDM4E

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 TEK 3703/4885KIF11 3495/4885HPGD 1054/4885

“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.