SCHEMBL3265391

SCHEMBL3265391

COC(=O)c1sc(-n2cnc3cc(Cl)ccc32)cc1OC(C)c1cccc(OCC2CN(C(=O)OC(C)(C)C)CCO2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.46
PLK1 P53350 15/20 0.42
PLK3 Q9H4B4 6/20 0.42
ERBB2 P04626 1/20 0.41
EPHB4 P54760 1/20 0.41
CDK2 P24941 1/20 0.41
IKBKE Q14164 1/20 0.41
CYP3A4 P08684 7/20 0.41
CYP2C9 P11712 5/20 0.41

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
SCHEMBL3255939 1.00 EPHA2 (0.46) EPHA2PLK1PLK3ERBB2EPHB4
SCHEMBL13621648 1.00 EPHA2 (0.46) EPHA2PLK1PLK3ERBB2EPHB4
SCHEMBL13440283 0.94 PLK1 (0.49) PLK1PLK3CDK2IKBKECYP3A4
SCHEMBL3256890 0.86 PLK1 (0.51) PLK1PLK3CDK2IKBKECYP3A4
SCHEMBL13440202 0.85 PLK1 (0.47) PLK1PLK3CDK2IKBKECYP3A4
SCHEMBL4632568 0.84 PLK1 (0.59) PLK1PLK3CDK2IKBKE
SCHEMBL3257446 0.81 PLK1 (0.53) PLK1PLK3CDK2IKBKECYP3A4
SCHEMBL13440337 0.81 PLK1 (0.53) PLK1PLK3CDK2IKBKECYP3A4
SCHEMBL3250760 0.80 PLK1 (0.52) PLK1PLK3CDK2IKBKE
SCHEMBL3248920 0.80 PLK1 (0.55) PLK1PLK3CDK2IKBKECYP3A4

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-2032563-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON PLK GLAXOSMITHKLINE LLC (US) 2010-06-02 EP disclosed
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 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-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 (3 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 EPHA2 4417/4885PLK1 458/4885PLK3 1235/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 EPHA2 4417/4885PLK1 458/4885PLK3 1235/4885
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 EPHA2 4455/4885PLK1 450/4885PLK3 1025/4885

“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.