SCHEMBL4553012

SCHEMBL4553012

COC(=O)c1sc(-n2cnc3cc(Br)ccc32)cc1OC(C)c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.46
PLK3 Q9H4B4 10/20 0.46
NEK2 P51955 4/20 0.46
PIK3CD O00329 2/20 0.46
NUAK1 O60285 2/20 0.46
PDGFRB P09619 2/20 0.46
PIM1 P11309 2/20 0.46
KDR P35968 2/20 0.46
CYP3A4 P08684 6/20 0.43
CYP2C9 P11712 4/20 0.43
PIK3CG P48736 1/20 0.43
CDK2 P24941 1/20 0.43
IKBKE Q14164 1/20 0.43

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
SCHEMBL3253677 1.00 PLK1 (0.46) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL3255741 0.95 PLK1 (0.51) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL13440197 0.95 PLK1 (0.51) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL3258526 0.94 PLK1 (0.47) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL13440202 0.94 PLK1 (0.47) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL13440230 0.92 PLK1 (0.51) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL3259784 0.92 PLK1 (0.51) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL3257193 0.91 PLK1 (0.45) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL3267248 0.91 PLK1 (0.45) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4355484 0.91 PLK1 (0.48) PLK1PLK3NEK2PIK3CDNUAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090124615-A9 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885PLK3 1235/4885NEK2 2703/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885PLK3 1235/4885NEK2 2703/4885

“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.