SCHEMBL3566690

SCHEMBL3566690

CNCCNc1cc(-c2ccc3c(c2)ncn3-c2cc(O[C@H](C)c3ccccc3C(F)(F)F)c(C(N)=O)s2)ccn1

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 20/20 0.87
CYP3A4 P08684 7/20 0.87
CYP2C9 P11712 6/20 0.87
PLK3 Q9H4B4 8/20 0.76

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
SCHEMBL3570605 0.94 PLK1 (0.88) PLK1CYP3A4CYP2C9PLK3
SCHEMBL3569210 0.94 PLK1 (0.84) PLK1CYP3A4CYP2C9PLK3
SCHEMBL3569179 0.93 PLK1 (1.00) PLK1CYP3A4CYP2C9PLK3
SCHEMBL3569804 0.92 PLK1 (0.75) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4551403 0.92 PLK1 (0.83) PLK1CYP3A4CYP2C9PLK3
SCHEMBL4551402 0.92 PLK1 (0.83) PLK1CYP3A4CYP2C9PLK3
SCHEMBL13435582 0.91 PLK1 (0.81) PLK1CYP3A4CYP2C9PLK3
SCHEMBL3569537 0.91 PLK1 (0.92) PLK1CYP3A4CYP2C9PLK3
SCHEMBL3567807 0.91 PLK1 (0.94) PLK1CYP3A4CYP2C9PLK3
SCHEMBL3569543 0.91 PLK1 (0.83) PLK1CYP3A4CYP2C9PLK3

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
US-20100056525-A1 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-04 US claimed
US-20100056525-A1 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100056525-A1 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20100056525-A1 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
EP-2079733-A2 5- AND 6-SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
WO-2008070354-A2 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
WO-2008070354-A2 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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 (1 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-20100056525-A1 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS CYP3A5, CYP2B6, CYP3A4 PLK1 836/4885CYP3A4 3/4885CYP2C9 9/4885

“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.