SCHEMBL3255950

SCHEMBL3255950

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 15/20 0.51
NEK2 P51955 3/20 0.45
FGFR1 P11362 4/20 0.45
PLK3 Q9H4B4 3/20 0.42
GSK3B P49841 3/20 0.42
PLK4 O00444 2/20 0.42
AURKA O14965 2/20 0.42
JAK2 O60674 2/20 0.42
LCK P06239 2/20 0.42
CSF1R P07333 2/20 0.42
SRC P12931 2/20 0.42
FLT1 P17948 2/20 0.42
CDK2 P24941 2/20 0.42
AXL P30530 2/20 0.42
FLT4 P35916 2/20 0.42
KDR P35968 2/20 0.42
JAK3 P52333 2/20 0.42
LIMK1 P53667 2/20 0.42
STK3 Q13188 2/20 0.42
DYRK1A Q13627 2/20 0.42

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
SCHEMBL5062343 0.90 FGFR1 (0.55) PLK1NEK2FGFR1PLK3GSK3B
SCHEMBL3607331 0.89 PLK1 (0.48) PLK1NEK2FGFR1PLK3GSK3B
SCHEMBL5062293 0.85 PLK1 (0.48) PLK1NEK2FGFR1IKBKE
SCHEMBL5058143 0.84 PLK1 (0.49) PLK1NEK2FGFR1GSK3BSMN1; SMN2
SCHEMBL3255967 0.83 PLK1 (0.55) PLK1NEK2FGFR1PLK3CDK2
SCHEMBL3259187 0.83 PLK1 (0.48) PLK1NEK2FGFR1GSK3BIKBKE
SCHEMBL3248966 0.82 PLK1 (0.51) PLK1PLK3CDK2IKBKE
SCHEMBL5062222 0.81 PLK1 (0.53) PLK1NEK2FGFR1PLK3MAPK1
SCHEMBL3256834 0.81 PLK1 (0.66) PLK1NEK2FGFR1PLK3CSF1R
SCHEMBL5062107 0.81 PLK1 (0.46) PLK1NEK2FGFR1PLK3GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032563-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON PLK GLAXOSMITHKLINE LLC (US) 2010-06-02 EP disclosed
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 US disclosed
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 US disclosed
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-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-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-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 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
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 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 458/4885NEK2 2703/4885FGFR1 2138/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885NEK2 2703/4885FGFR1 2138/4885
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 PLK1 450/4885NEK2 2637/4885FGFR1 1429/4885

“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.