SCHEMBL4280896

SCHEMBL4280896

C[C@@H](Oc1cc(-n2cnc3cc(Cl)c(F)cc32)sc1C(=O)O)c1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 16/20 0.68
PLK3 Q9H4B4 13/20 0.68
IKBKE Q14164 2/20 0.68
CDK2 P24941 1/20 0.68
CYP2C9 P11712 2/20 0.61
CYP3A4 P08684 4/20 0.58
PIK3CD O00329 1/20 0.56
NUAK1 O60285 1/20 0.56
PDGFRB P09619 1/20 0.56
PIM1 P11309 1/20 0.56
KDR P35968 1/20 0.56
NEK2 P51955 1/20 0.56

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
SCHEMBL3256849 0.91 PLK1 (0.68) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL3650848 0.90 PLK1 (0.55) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL5003822 0.89 PLK1 (0.69) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL4632570 0.87 PLK1 (0.67) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL2989134 0.87 PLK1 (0.70) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL3610997 0.86 PLK1 (0.55) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL5006672 0.86 PLK1 (0.78) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL3572779 0.86 PLK1 (0.65) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL2984600 0.84 PLK1 (0.67) PLK1PLK3IKBKECDK2CYP2C9
SCHEMBL2982059 0.84 PLK1 (0.67) PLK1PLK3IKBKECDK2CYP2C9

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-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

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 1235/4885IKBKE 1298/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885PLK3 1235/4885IKBKE 1298/4885

“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.