SCHEMBL4551568

SCHEMBL4551568

COc1cc2ncn(-c3cc(OC(C)c4cccc(OCC5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)c(C(N)=O)s3)c2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.61
PLK3 Q9H4B4 11/20 0.61
CDK2 P24941 1/20 0.61
IKBKE Q14164 1/20 0.61
PIK3CD O00329 1/20 0.49
NUAK1 O60285 1/20 0.49
PDGFRB P09619 1/20 0.49
PIM1 P11309 1/20 0.49
KDR P35968 1/20 0.49
NEK2 P51955 1/20 0.49

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
SCHEMBL3256808 1.00 PLK1 (0.61) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3257446 0.94 PLK1 (0.53) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL13440337 0.94 PLK1 (0.53) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3251986 0.92 PLK1 (0.65) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3618976 0.91 PLK1 (0.61) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3250908 0.90 PLK1 (0.69) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL4553248 0.90 PLK1 (0.69) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3254480 0.88 PLK1 (0.67) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3256414 0.87 PLK1 (0.66) PLK1PLK3
SCHEMBL3263611 0.83 PLK1 (0.60) PLK1PLK3CDK2IKBKEPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
US-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 US disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 US disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 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 (2 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-20090124615-A9 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885PLK3 1235/4885CDK2 186/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885PLK3 1235/4885CDK2 186/4885

“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.