SCHEMBL2989081

SCHEMBL2989081

COc1ccc(COc2ccc3ncn(-c4cc(O[C@H](C)c5ccccc5Cl)c(C(=O)O)s4)c3c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 16/20 0.73
PLK3 Q9H4B4 14/20 0.73
IKBKE Q14164 2/20 0.63
CDK2 P24941 1/20 0.63
PIK3CD O00329 1/20 0.59
NUAK1 O60285 1/20 0.59
PDGFRB P09619 1/20 0.59
PIM1 P11309 1/20 0.59
KDR P35968 1/20 0.59
NEK2 P51955 1/20 0.59
CYP2C9 P11712 1/20 0.53

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
SCHEMBL2980041 0.93 PLK1 (0.72) PLK1PLK3IKBKECDK2PIK3CD
SCHEMBL5002856 0.90 PLK1 (0.64) PLK1PLK3IKBKECDK2PIK3CD
SCHEMBL4633349 0.89 PLK1 (0.74) PLK1PLK3CDK2PIK3CDNUAK1
SCHEMBL2984600 0.87 PLK1 (0.67) PLK1PLK3IKBKECDK2PIK3CD
SCHEMBL2982059 0.87 PLK1 (0.67) PLK1PLK3IKBKECDK2PIK3CD
SCHEMBL4778201 0.87 PLK1 (0.71) PLK1PLK3IKBKECDK2PIK3CD
SCHEMBL5002846 0.87 PLK1 (0.71) PLK1PLK3IKBKECDK2PIK3CD
SCHEMBL2989134 0.86 PLK1 (0.70) PLK1PLK3IKBKECDK2PIK3CD
SCHEMBL2981852 0.86 PLK1 (0.65) PLK1PLK3IKBKECDK2PIK3CD
SCHEMBL5006345 0.84 PLK1 (0.64) PLK1PLK3IKBKECDK2PIK3CD

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
US-7786127-B2 Benzimidazole thiophene compounds Glaxo SmithKline LLC (US) 2010-08-31 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-20080214567-A1 Benzimidazole Thiophene Compounds GLAXOSMITHKLINE LLC 2008-09-04 US disclosed
EP-1937671-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SmithKline Beecham Corporation (US) 2008-07-02 EP disclosed
EP-1924572-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SmithKline Beecham Corporation (US) 2008-05-28 EP disclosed
WO-2007030361-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO 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-20080214567-A1 Benzimidazole Thiophene Compounds ABCB1, ABCG2, CYP3A5 PLK1 344/4885PLK3 934/4885IKBKE 1766/4885
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 PLK1 1718/4885PLK3 2097/4885IKBKE 1819/4885

“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.