Sugi Predict

Sugi Predict / Compounds / SCHEMBL3608362

SCHEMBL3608362

SCHEMBL3608362

C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(=O)O)c1cccc(O[Si](C)(C)C(C)(C)C)c1Cl

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 20/20 0.67
▸ CYP3A4 P08684 9/20 0.67
▸ PLK3 Q9H4B4 7/20 0.67
▸ CYP2C9 P11712 7/20 0.54

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
SCHEMBL3255977 0.93 PLK1 (0.65) PLK1CYP3A4PLK3CYP2C9
SCHEMBL3614869 0.90 PLK1 (0.68) PLK1CYP3A4PLK3CYP2C9
SCHEMBL3606412 0.89 PLK1 (0.72) PLK1CYP3A4PLK3CYP2C9
SCHEMBL3610325 0.86 PLK1 (0.66) PLK1CYP3A4PLK3CYP2C9
SCHEMBL4999146 0.86 PLK1 (0.68) PLK1CYP3A4PLK3CYP2C9
SCHEMBL4999143 0.86 PLK1 (0.68) PLK1CYP3A4PLK3CYP2C9
SCHEMBL3258884 0.84 PLK1 (0.49) PLK1CYP3A4PLK3CYP2C9
SCHEMBL3614266 0.84 PLK1 (0.63) PLK1PLK3CYP2C9
SCHEMBL3256376 0.83 PLK1 (0.66) PLK1CYP3A4PLK3CYP2C9
SCHEMBL3258875 0.83 PLK1 (0.66) PLK1CYP3A4PLK3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 — — US disclosed
US-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-12-31 — — 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
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 — — 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 (5 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-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS CYP3A4, CYP2C8, ABCB1 PLK1 391/4885CYP3A4 1/4885PLK3 964/4885
US-20090124615-A9 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885CYP3A4 4/4885PLK3 1235/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885CYP3A4 4/4885PLK3 1235/4885
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 PLK1 450/4885CYP3A4 3/4885PLK3 1025/4885
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 PLK1 1718/4885CYP3A4 1/4885PLK3 2097/4885

“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.