SCHEMBL2973537

SCHEMBL2973537

COC(=O)c1sc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)cc1O[C@H](C)c1ccccc1C(F)(F)F

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.86
PLK3 Q9H4B4 11/20 0.86
NEK2 P51955 3/20 0.86
PIK3CD O00329 2/20 0.86
PDGFRB P09619 2/20 0.86
PIM1 P11309 2/20 0.86
PIK3CG P48736 2/20 0.86
PIK3C2B O00750 1/20 0.86
RIOK3 O14730 1/20 0.86
DAPK3 O43293 1/20 0.86
PIP5K1C O60331 1/20 0.86
RPS6KA4 O75676 1/20 0.86
STK10 O94804 1/20 0.86
PRKD3 O94806 1/20 0.86
KIT P10721 1/20 0.86
CSNK2A2 P19784 1/20 0.86
GRK4 P32298 1/20 0.86
TIE1 P35590 1/20 0.86
FLT3 P36888 1/20 0.86
PRKCI P41743 1/20 0.86

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
SCHEMBL4562944 1.00 PLK1 (0.86) PLK1PLK3NEK2PIK3CDPDGFRB
Hydrochloric Acid SCHEMBL3111856 0.99 PLK1 (0.85) PLK1PLK3NEK2PIK3CDPDGFRB
Hydrochloric Acid SCHEMBL3107975 0.99 PLK1 (0.85) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL2973906 0.93 PLK1 (0.88) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL4395540 0.92 PLK1 (0.73) PLK1PLK3NEK2PIK3CDPDGFRB
Gsk-461364 SCHEMBL4276841 0.92 PLK1 (1.00) PLK1PLK3NEK2PIK3CDPDGFRB
Gsk-461364 SCHEMBL29655945 0.92 PLK1 (1.00) PLK1PLK3NEK2PIK3CDPDGFRB
Gsk-461364 SCHEMBL310080 0.92 PLK1 (1.00) PLK1PLK3NEK2PIK3CDPDGFRB
Gsk-461364 SCHEMBL29360650 0.92 PLK1 (1.00) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL14568675 0.92 PLK1 (0.81) 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236954-B2 Processes for preparing benzimidazole thiophenes GLAXOSMITHKLINE LLC (US) 2012-08-07 US claimed
US-20100256376-A1 Processes For Preparing Benzimidazole Thiophenes GLAXOSMITHKLINE LLC 2010-10-07 US claimed
EP-2170871-A2 PROCESSES FOR PREPARING BENZIMIDAZOLE THIOPHENES GlaxoSmithKline LLC (US) 2010-04-07 EP claimed
WO-2009002916-A2 PROCESSES FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2008-12-31 WO claimed
US-8236954-B2 Processes for preparing benzimidazole thiophenes GLAXOSMITHKLINE LLC (US) 2012-08-07 US disclosed
US-8236954-B2 Processes for preparing benzimidazole thiophenes GLAXOSMITHKLINE LLC (US) 2012-08-07 US disclosed
US-8236954-B2 Processes for preparing benzimidazole thiophenes GLAXOSMITHKLINE LLC (US) 2012-08-07 US disclosed
US-20100256376-A1 Processes For Preparing Benzimidazole Thiophenes GLAXOSMITHKLINE LLC 2010-10-07 US disclosed
US-20100256376-A1 Processes For Preparing Benzimidazole Thiophenes GLAXOSMITHKLINE LLC 2010-10-07 US disclosed
US-20100256376-A1 Processes For Preparing Benzimidazole Thiophenes GLAXOSMITHKLINE LLC 2010-10-07 US disclosed
US-7786127-B2 Benzimidazole thiophene compounds Glaxo SmithKline LLC (US) 2010-08-31 US disclosed
US-7786127-B2 Benzimidazole thiophene compounds Glaxo SmithKline LLC (US) 2010-08-31 US disclosed
US-20080214567-A1 Benzimidazole Thiophene Compounds GLAXOSMITHKLINE LLC 2008-09-04 US disclosed
EP-1937671-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SmithKline Beecham Corporation (US) 2008-07-02 EP disclosed
US-20070270437-A1 Benzimidazole Thiophene Compounds CHEUNG MUI 2007-11-22 US disclosed
US-20070270437-A1 Benzimidazole Thiophene Compounds CHEUNG MUI 2007-11-22 US disclosed
US-20070270437-A1 Benzimidazole Thiophene Compounds CHEUNG MUI 2007-11-22 US disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed
WO-2007030361-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed
WO-2007030361-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO 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-20080214567-A1 Benzimidazole Thiophene Compounds ABCB1, ABCG2, CYP3A5 PLK1 344/4885PLK3 934/4885NEK2 2296/4885
US-20100256376-A1 Processes For Preparing Benzimidazole Thiophenes TPMT, TBKBP1, TYMP PLK1 735/4885PLK3 982/4885NEK2 774/4885
US-20070270437-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885PLK3 1235/4885NEK2 2703/4885

“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.