SCHEMBL3602211

SCHEMBL3602211

N#Cc1ccc2c(c1)ncn2-c1cc(O)c(C(=O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 9/20 0.46
IKBKE Q14164 3/20 0.45
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
NEK2 P51955 2/20 0.42
FGFR1 P11362 3/20 0.39

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
SCHEMBL3616426 0.91 PLK1 (0.46) PLK1IKBKENEK2FGFR1SRC
SCHEMBL3258683 0.88 PLK1 (0.50) PLK1IKBKEGABRPGABRDGABRA1
SCHEMBL3615059 0.82 PLK1 (0.53) PLK1NEK2FGFR1SRCPLK4
SCHEMBL5008887 0.80 PLK1 (0.61) PLK1IKBKENEK2FGFR1CSF1R
SCHEMBL3617056 0.79 FGFR1 (0.53) PLK1NEK2FGFR1SRCPLK4
SCHEMBL3251789 0.79 PLK1 (0.50) PLK1IKBKENEK2JAK2JAK3
SCHEMBL3615700 0.78 PLK1 (0.54) PLK1IKBKENEK2FGFR1SRC
SCHEMBL3607621 0.77 PLK1 (0.47) PLK1IKBKENEK2FGFR1SRC
SCHEMBL3610351 0.77 PLK1 (0.47) PLK1IKBKENEK2FGFR1SRC
SCHEMBL3607331 0.76 PLK1 (0.48) PLK1NEK2FGFR1SRCPLK4

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 458/4885IKBKE 1298/4885GABRP 625/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885IKBKE 1298/4885GABRP 625/4885
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 PLK1 450/4885IKBKE 1461/4885GABRP 389/4885

“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.