Sugi Predict

Sugi Predict / Compounds / SCHEMBL3605720

SCHEMBL3605720

SCHEMBL3605720

COc1cc2ncn(-c3cc(O[C@H](C)c4cccc(OCCBr)c4Cl)c(C(=O)O)s3)c2cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 16/20 0.64
▸ PLK3 Q9H4B4 7/20 0.64
▸ IKBKE Q14164 3/20 0.64
▸ CDK2 P24941 2/20 0.64
▸ PLK4 O00444 1/20 0.51
▸ CHEK1 O14757 1/20 0.51
▸ AURKA O14965 1/20 0.51
▸ DAPK3 O43293 1/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ CHEK2 O96017 1/20 0.51
▸ INSR P06213 1/20 0.51
▸ LCK P06239 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ CSF1R P07333 1/20 0.51
▸ LYN P07948 1/20 0.51
▸ MET P08581 1/20 0.51
▸ PIM1 P11309 1/20 0.51
▸ FGFR1 P11362 1/20 0.51
▸ SRC P12931 1/20 0.51

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
SCHEMBL3255726 0.93 PLK1 (0.63) PLK1PLK3IKBKECDK2
SCHEMBL3615653 0.90 PLK1 (0.51) PLK1PLK3IKBKECDK2
SCHEMBL3606535 0.89 PLK1 (0.58) PLK1PLK3IKBKECDK2PLK4
SCHEMBL3614266 0.88 PLK1 (0.63) PLK1PLK3IKBKECDK2PLK4
SCHEMBL3616188 0.88 PLK1 (0.68) PLK1PLK3IKBKECDK2PLK4
SCHEMBL4503419 0.87 PLK1 (0.74) PLK1PLK3IKBKECDK2
SCHEMBL14344537 0.87 PLK1 (0.74) PLK1PLK3IKBKECDK2
SCHEMBL3604470 0.84 PLK1 (0.64) PLK1PLK3IKBKECDK2PLK4
SCHEMBL3604466 0.84 PLK1 (0.64) PLK1PLK3IKBKECDK2PLK4
SCHEMBL13440278 0.84 PLK1 (0.51) PLK1PLK3IKBKECDK2

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 5 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-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-12-31 — — 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 (4 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-20090326029-A1 NON-CYCLIC SUBSTITUTED BENZIMIDAZOLE THIOPHENE BENZYL ETHER COMPOUNDS CYP3A4, CYP2C8, ABCB1 PLK1 391/4885PLK3 964/4885IKBKE 1849/4885
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
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 PLK1 450/4885PLK3 1025/4885IKBKE 1461/4885

“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.