SCHEMBL3608818

SCHEMBL3608818

C[C@@H](Oc1cc(-n2cnc3cc(Cl)ccc32)sc1C(N)=O)c1cccc(OCN2CCOCC2)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.62
CYP3A4 P08684 8/20 0.62
CYP2C9 P11712 5/20 0.55
PLK3 Q9H4B4 8/20 0.55
CDK2 P24941 1/20 0.54
IKBKE Q14164 1/20 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
SCHEMBL3254614 0.93 PLK1 (0.64) PLK1CYP3A4CYP2C9PLK3CDK2
SCHEMBL13440272 0.93 PLK1 (0.64) PLK1CYP3A4CYP2C9PLK3CDK2
SCHEMBL3611601 0.87 PLK1 (0.56) PLK1CYP3A4CYP2C9PLK3CDK2
SCHEMBL3248938 0.86 PLK1 (0.64) PLK1CYP3A4CYP2C9PLK3CDK2
SCHEMBL13440237 0.86 PLK1 (0.64) PLK1CYP3A4CYP2C9PLK3CDK2
SCHEMBL3248920 0.85 PLK1 (0.55) PLK1CYP3A4CYP2C9PLK3CDK2
SCHEMBL13440281 0.85 PLK1 (0.55) PLK1CYP3A4CYP2C9PLK3CDK2
SCHEMBL13440251 0.83 PLK1 (0.58) PLK1CYP3A4CYP2C9PLK3CDK2
SCHEMBL3254899 0.83 PLK1 (0.58) PLK1CYP3A4CYP2C9PLK3CDK2
SCHEMBL13440263 0.83 PLK1 (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 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 (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-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 PLK1 450/4885CYP3A4 3/4885CYP2C9 7/4885

“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.