SCHEMBL3558801

SCHEMBL3558801

Cc1cccn2c(-c3nc(NC(C)c4ccc(CO)cc4)ncc3C#N)cnc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.38
CDK1 P06493 5/20 0.35
KDR P35968 5/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDH1 O75874 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
IGF1R P08069 3/20 0.34
CDK2 P24941 1/20 0.33
RPS6KB1 P23443 1/20 0.33
FLT3 P36888 1/20 0.33
MAPK14 Q16539 1/20 0.33
BDKRB1 P46663 1/20 0.32

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 0.91 PLK1 (0.38) PLK1CDK1KDRKDM4EALDH1A1
SCHEMBL3558617 0.90 PLK1 (0.39) PLK1CDK1KDRKDM4EALDH1A1
SCHEMBL3546850 0.89 PLK1 (0.47) PLK1CDK1KDRALDH1A1HPGD
SCHEMBL4257883 0.88 ALDH1A1 (0.43) PLK1CDK1KDRKDM4EALDH1A1
SCHEMBL3550499 0.88 PLK1 (0.39) PLK1RPS6KB1FLT3MAPK14
SCHEMBL3546619 0.88 PLK1 (0.39) PLK1CDK1KDRKDM4EALDH1A1
SCHEMBL3554854 0.88 PLK1 (0.36) PLK1CDK1KDRKDM4EALDH1A1
SCHEMBL2197483 0.88 HDAC8 (0.41) PLK1CDK1KDRALDH1A1HPGD
SCHEMBL2199169 0.88 PLK1 (0.43) PLK1CDK1KDRALDH1A1HPGD
SCHEMBL2199959 0.87 PLK1 (0.37) PLK1CDK1KDRALDH1A1HPGD

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 1/4885CDK1 2/4885KDR 2133/4885

“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.