SCHEMBL5200686

SCHEMBL5200686

CCn1c(-c2cc3ccccc3[nH]2)nc(-c2ccncc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MAPK14 Q16539 8/20 0.42
MAPK13 O15264 6/20 0.42
MAPK12 P53778 6/20 0.42
MAPK11 Q15759 6/20 0.42
RAF1 P04049 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
SCHEMBL5199254 0.86 NPC1 (0.37) KDM4EMEN1NPC1ALDH1A1CYP1A2
SCHEMBL5199263 0.86 NPC1 (0.37) KDM4EMEN1NPC1ALDH1A1CYP1A2
SCHEMBL5198712 0.82 TEK (0.48) KDM4EMEN1ALDH1A1KMT2AMAPK14
SCHEMBL5197690 0.79 MAPK14 (0.44) MEN1KMT2AMAPK14MAPK13MAPK12
SCHEMBL5200226 0.79 FABP4 (0.43) KDM4EMEN1NPC1ALDH1A1CYP1A2
SCHEMBL5198855 0.79 TEK (0.44) NPC1ALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL5196144 0.78 MAPK13 (0.68) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5198874 0.78 TEK (0.42) KDM4EALDH1A1MAPK14MAPK13MAPK12
SCHEMBL5194034 0.78 TEK (0.42) KDM4EMAPK14MAPK13MAPK12MAPK11
Methyl Alcohol SCHEMBL27727314 0.77 FABP4 (0.53) KDM4EMEN1KMT2AMAPK14MAPK13

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 KDM4E 1285/4885MEN1 2896/4885NPC1 865/4885

“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.