SCHEMBL2977487

SCHEMBL2977487

COC(=O)c1sc(-n2cnc3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc32)cc1O[C@H](C)c1ccccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.70
PLK3 Q9H4B4 16/20 0.70
NEK2 P51955 4/20 0.70
PIK3CD O00329 2/20 0.70
NUAK1 O60285 2/20 0.70
PDGFRB P09619 2/20 0.70
PIM1 P11309 2/20 0.70
KDR P35968 2/20 0.70
PIK3CG P48736 1/20 0.58
CDK2 P24941 1/20 0.52
IKBKE Q14164 1/20 0.52

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
SCHEMBL2973679 0.91 PLK1 (0.72) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4398808 0.90 PLK1 (0.69) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2986655 0.90 PLK1 (0.85) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4397911 0.90 PLK1 (0.56) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4397580 0.90 PLK1 (0.56) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4413881 0.89 PLK1 (0.56) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4402962 0.89 PLK1 (0.69) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4397830 0.88 PLK1 (0.73) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4397738 0.88 PLK1 (0.58) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4402879 0.88 PLK1 (0.55) PLK1PLK3NEK2PIK3CDNUAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786127-B2 Benzimidazole thiophene compounds Glaxo SmithKline LLC (US) 2010-08-31 US disclosed
US-7786127-B2 Benzimidazole thiophene compounds Glaxo SmithKline LLC (US) 2010-08-31 US disclosed
US-7786127-B2 Benzimidazole thiophene compounds Glaxo SmithKline LLC (US) 2010-08-31 US disclosed
EP-1937671-B1 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-12-16 EP disclosed
US-7595330-B2 Benzimidazole thiophene compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
US-7595330-B2 Benzimidazole thiophene compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
US-7595330-B2 Benzimidazole thiophene compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
US-20080214567-A1 Benzimidazole Thiophene Compounds GLAXOSMITHKLINE LLC 2008-09-04 US disclosed
US-20080214567-A1 Benzimidazole Thiophene Compounds GLAXOSMITHKLINE LLC 2008-09-04 US disclosed
US-20080214567-A1 Benzimidazole Thiophene Compounds GLAXOSMITHKLINE LLC 2008-09-04 US disclosed
US-20070270437-A1 Benzimidazole Thiophene Compounds CHEUNG MUI 2007-11-22 US disclosed
US-20070270437-A1 Benzimidazole Thiophene Compounds CHEUNG MUI 2007-11-22 US disclosed
US-20070270437-A1 Benzimidazole Thiophene Compounds CHEUNG MUI 2007-11-22 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-20080214567-A1 Benzimidazole Thiophene Compounds ABCB1, ABCG2, CYP3A5 PLK1 344/4885PLK3 934/4885NEK2 2296/4885
US-20070270437-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885PLK3 1235/4885NEK2 2703/4885
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 PLK1 1718/4885PLK3 2097/4885NEK2 1915/4885

“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.