SCHEMBL5198537

SCHEMBL5198537

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK14 Q16539 7/20 0.35
MAPK11 Q15759 5/20 0.35
MAPK13 O15264 4/20 0.35
MAPK12 P53778 4/20 0.35
NSD3 Q9BZ95 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TEK Q02763 3/20 0.35
GCGR P47871 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL5196834 0.92 NPSR1 (0.43) ALDH1A1HPGDPOLBKMT2AMAPT
SCHEMBL5197958 0.88 MAPK14 (0.38) POLBKDM4ENPSR1MAPK14MAPK11
SCHEMBL5197084 0.86 TEK (0.46) MAPK14MAPK11MAPK13MAPK12NSD3
SCHEMBL5197077 0.84 AVPR2 (0.41) ALDH1A1HPGDPOLBKMT2AMEN1
SCHEMBL5194356 0.83 MAPK14 (0.42) KMT2AMAPK14MAPK11MAPK13MAPK12
SCHEMBL5260109 0.82 TEK (0.41) MAPK14MAPK11MAPK13MAPK12NSD3
SCHEMBL5198719 0.81 NPSR1 (0.44) ALDH1A1HPGDPOLBMAPTKDM4E
SCHEMBL5185055 0.78 TEK (0.48) MAPK14MAPK11MAPK13MAPK12NSD3
SCHEMBL5311305 0.77 MAPK14 (0.37) POLBKMT2AMEN1MAPTMAPK14
SCHEMBL5194635 0.76 MAPK14 (0.50) 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 8 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
EP-1814879-A1 DERIVATIVES OF 4,7-DIOXOBENZOTHIAZOLE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND THERAPEUTIC USES OF SAME Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S) SAS (FR) 2007-08-08 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
WO-2006051202-A1 DERIVATIVES OF 4,7-DIOXOBENZOTHIAZOLE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND THERAPEUTIC USES OF SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) SAS (FR) 2006-05-18 WO 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 ALDH1A1 1241/4885HPGD 1054/4885POLB 4794/4885

“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.