SCHEMBL4395540

SCHEMBL4395540

COC(=O)c1sc(-n2cnc3ccc(CN4CCNCC4)cc32)cc1O[C@H](C)c1ccccc1C(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.73
PLK3 Q9H4B4 12/20 0.73
NEK2 P51955 3/20 0.73
PIK3CD O00329 2/20 0.73
PDGFRB P09619 2/20 0.73
PIM1 P11309 2/20 0.73
PIK3CG P48736 2/20 0.73
PIK3C2B O00750 1/20 0.73
RIOK3 O14730 1/20 0.73
DAPK3 O43293 1/20 0.73
PIP5K1C O60331 1/20 0.73
RPS6KA4 O75676 1/20 0.73
STK10 O94804 1/20 0.73
PRKD3 O94806 1/20 0.73
KIT P10721 1/20 0.73
CSNK2A2 P19784 1/20 0.73
GRK4 P32298 1/20 0.73
TIE1 P35590 1/20 0.73
FLT3 P36888 1/20 0.73
PRKCI P41743 1/20 0.73

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
SCHEMBL14568319 0.93 PLK1 (0.72) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL4631668 0.93 PLK1 (0.75) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL2973537 0.92 PLK1 (0.86) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL4562944 0.92 PLK1 (0.86) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL4405982 0.92 PLK1 (0.86) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL13573235 0.92 PLK1 (0.86) PLK1PLK3NEK2PIK3CDPDGFRB
Hydrochloric Acid SCHEMBL3111856 0.92 PLK1 (0.85) PLK1PLK3NEK2PIK3CDPDGFRB
Hydrochloric Acid SCHEMBL3107975 0.92 PLK1 (0.85) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL4411390 0.90 PLK1 (0.60) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL25267160 0.89 PLK1 (0.71) PLK1PLK3NEK2PIK3CDPDGFRB

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
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 US disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 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 (1 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-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 PLK1 1718/4885PLK3 2097/4885NEK2 1915/4885

“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.