SCHEMBL3554854

SCHEMBL3554854

Cc1cccn2c(-c3nc(N[C@@H](C)c4ccc(CS(C)(=O)=O)cc4)ncc3C#N)cnc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.36
IDH1 O75874 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK14 Q16539 1/20 0.33
IGF1R P08069 3/20 0.32
HDAC8 Q9BY41 1/20 0.32
CDK2 P24941 1/20 0.32
RPS6KB1 P23443 1/20 0.32
GLA P06280 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CDK1 P06493 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL3552091 0.88 PLK1 (0.38) PLK1IDH1KDM4EALDH1A1GAA
SCHEMBL3558801 0.88 PLK1 (0.38) PLK1IDH1KDM4EALDH1A1GAA
SCHEMBL3549229 0.88 IDH1 (0.37) PLK1IDH1IGF1RCDK2RPS6KB1
SCHEMBL3546619 0.87 PLK1 (0.39) PLK1IDH1KDM4EALDH1A1HPGD
SCHEMBL3546850 0.86 PLK1 (0.47) PLK1IDH1ALDH1A1HPGDIGF1R
SCHEMBL4257883 0.85 ALDH1A1 (0.43) PLK1IDH1KDM4EALDH1A1HPGD
SCHEMBL3550499 0.85 PLK1 (0.39) PLK1MAPK14RPS6KB1
SCHEMBL3558617 0.85 PLK1 (0.39) PLK1IDH1KDM4EALDH1A1GAA
SCHEMBL3549523 0.85 PLK1 (0.34) PLK1KDM4EALDH1A1GAAHPGD
SCHEMBL2197483 0.84 HDAC8 (0.41) PLK1ALDH1A1HPGDMAPK14IGF1R

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101048406-B Novel substituted imidazole derivatives BANYU PHARMA CO LTD 2010-12-22 CN disclosed
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
CN-101048406-A Novel substituted imidazole derivatives BANYU PHARMA CO LTD (JP) 2007-10-03 CN disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A PLK1 1/4885IDH1 767/4885KDM4E 489/4885

“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.