SCHEMBL13435586

SCHEMBL13435586

CC(Oc1cc(-n2cnc3cc(-c4cnc(Cl)nc4)ccc32)sc1C(N)=O)c1ccccc1Cl

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.84
CYP2C9 P11712 8/20 0.84
PLK3 Q9H4B4 7/20 0.84
CYP3A4 P08684 11/20 0.81
CDK2 P24941 1/20 0.73
IKBKE Q14164 1/20 0.73

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
SCHEMBL3575332 1.00 PLK1 (0.84) PLK1CYP2C9PLK3CYP3A4CDK2
SCHEMBL4839634 0.93 PLK1 (0.89) PLK1CYP2C9PLK3CYP3A4CDK2
SCHEMBL14029682 0.92 PLK1 (0.81) PLK1CYP2C9PLK3CYP3A4CDK2
SCHEMBL3151246 0.91 PLK1 (0.80) PLK1CYP2C9PLK3CYP3A4CDK2
SCHEMBL13573204 0.91 PLK1 (1.00) PLK1CYP2C9PLK3CYP3A4CDK2
SCHEMBL4404322 0.91 PLK1 (1.00) PLK1CYP2C9PLK3CYP3A4CDK2
SCHEMBL4413428 0.90 PLK1 (0.87) PLK1CYP2C9PLK3CYP3A4CDK2
SCHEMBL13451093 0.90 PLK1 (1.00) PLK1CYP2C9PLK3CYP3A4CDK2
SCHEMBL4405207 0.90 PLK1 (0.79) PLK1CYP2C9PLK3CYP3A4CDK2
SCHEMBL3154850 0.90 PLK1 (1.00) PLK1CYP2C9PLK3CYP3A4CDK2

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 3 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 disclosed
US-20100056525-A1 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-04 US 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 836/4885CYP2C9 9/4885PLK3 1941/4885

“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.