SCHEMBL3607331

SCHEMBL3607331

O=C(O)c1sc(-n2cnc3cc(OC(F)(F)F)ccc32)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.48
PLK3 Q9H4B4 4/20 0.45
NEK2 P51955 3/20 0.45
FGFR1 P11362 3/20 0.45
CSF1R P07333 2/20 0.45
PIM1 P11309 2/20 0.45
KDR P35968 2/20 0.45
LIMK1 P53667 2/20 0.45
STK3 Q13188 2/20 0.45
DYRK1A Q13627 2/20 0.45
PKN2 Q16513 2/20 0.45
HIPK4 Q8NE63 2/20 0.45
BRSK1 Q8TDC3 2/20 0.45
AURKB Q96GD4 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
MAP4K5 Q9Y4K4 2/20 0.45
PLK4 O00444 1/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45

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
SCHEMBL3255950 0.89 PLK1 (0.51) PLK1PLK3NEK2FGFR1CSF1R
SCHEMBL3616212 0.81 PLK1 (0.53) PLK1PLK3CDK2
SCHEMBL3615059 0.79 PLK1 (0.53) PLK1PLK3NEK2FGFR1CSF1R
SCHEMBL6239483 0.79 PLK1 (0.46) PLK1PLK3NEK2FGFR1CSF1R
SCHEMBL5062343 0.79 FGFR1 (0.55) PLK1PLK3NEK2FGFR1GSK3B
SCHEMBL5008887 0.78 PLK1 (0.61) PLK1PLK3NEK2FGFR1CSF1R
SCHEMBL3610351 0.77 PLK1 (0.47) PLK1PLK3NEK2FGFR1CSF1R
SCHEMBL3617056 0.76 FGFR1 (0.53) PLK1PLK3NEK2FGFR1CSF1R
SCHEMBL3602211 0.76 PLK1 (0.46) PLK1PLK3NEK2FGFR1CSF1R
SCHEMBL3615700 0.76 PLK1 (0.54) PLK1PLK3NEK2FGFR1CSF1R

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 4 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-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 (3 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
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 PLK1 450/4885PLK3 1025/4885NEK2 2637/4885

“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.