SCHEMBL3254362

SCHEMBL3254362

C[C@@H](Oc1cc(-n2cnc3cc(-c4cc[n+]([O-])cc4)ccc32)sc1C(N)=O)c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.54
PLK3 Q9H4B4 8/20 0.54
CYP2C9 P11712 6/20 0.54
CYP3A4 P08684 9/20 0.52
PIK3CD O00329 1/20 0.51
NUAK1 O60285 1/20 0.51
PDGFRB P09619 1/20 0.51
PIM1 P11309 1/20 0.51
KDR P35968 1/20 0.51
NEK2 P51955 1/20 0.51

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
SCHEMBL4553503 0.92 PLK1 (0.65) PLK1PLK3CYP2C9CYP3A4PIK3CD
SCHEMBL3257355 0.92 PLK1 (0.65) PLK1PLK3CYP2C9CYP3A4PIK3CD
SCHEMBL13440210 0.90 PLK1 (0.57) PLK1PLK3CYP2C9CYP3A4PIK3CD
SCHEMBL3248782 0.90 PLK1 (0.57) PLK1PLK3CYP2C9CYP3A4PIK3CD
SCHEMBL3257786 0.90 PLK1 (0.62) PLK1PLK3CYP2C9CYP3A4PIK3CD
SCHEMBL3256394 0.90 PLK1 (0.55) PLK1PLK3CYP2C9CYP3A4PIK3CD
SCHEMBL13440203 0.90 PLK1 (0.55) PLK1PLK3CYP2C9CYP3A4PIK3CD
SCHEMBL13440223 0.90 PLK1 (0.62) PLK1PLK3CYP2C9CYP3A4PIK3CD
SCHEMBL3251739 0.90 PLK1 (0.67) PLK1PLK3CYP2C9CYP3A4PIK3CD
SCHEMBL3256602 0.90 PLK1 (0.62) PLK1PLK3CYP2C9CYP3A4PIK3CD

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 7 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-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-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 PLK1 458/4885PLK3 1235/4885CYP2C9 7/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885PLK3 1235/4885CYP2C9 7/4885
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 PLK1 450/4885PLK3 1025/4885CYP2C9 7/4885

“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.