SCHEMBL5063377

SCHEMBL5063377

COC(=O)c1sc(-n2cnc3ccc(Br)cc32)cc1OCc1ccccc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.66
PLK3 Q9H4B4 3/20 0.52
PLK4 O00444 2/20 0.51
AURKA O14965 2/20 0.51
JAK2 O60674 2/20 0.51
LCK P06239 2/20 0.51
CSF1R P07333 2/20 0.51
FGFR1 P11362 2/20 0.51
SRC P12931 2/20 0.51
FLT1 P17948 2/20 0.51
CDK2 P24941 2/20 0.51
AXL P30530 2/20 0.51
FLT4 P35916 2/20 0.51
KDR P35968 2/20 0.51
GSK3B P49841 2/20 0.51
NEK2 P51955 2/20 0.51
JAK3 P52333 2/20 0.51
LIMK1 P53667 2/20 0.51
STK3 Q13188 2/20 0.51
DYRK1A Q13627 2/20 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
SCHEMBL5062601 0.93 PLK1 (0.66) PLK1PLK3PLK4AURKAJAK2
SCHEMBL5058224 0.91 PLK1 (0.68) PLK1PLK3PLK4AURKAJAK2
SCHEMBL6041366 0.91 PLK1 (0.68) PLK1PLK3PLK4AURKAJAK2
SCHEMBL5062186 0.90 PLK1 (0.67) PLK1PLK3PLK4AURKAJAK2
SCHEMBL5066012 0.90 PLK1 (0.80) PLK1PLK3CSF1RKDRNEK2
SCHEMBL5062998 0.89 PLK1 (0.82) PLK1PLK3PLK4AURKAJAK2
SCHEMBL5062609 0.89 PLK1 (0.66) PLK1PLK3PLK4AURKAJAK2
SCHEMBL5062897 0.89 PLK1 (0.67) PLK1PLK3PLK4AURKAJAK2
SCHEMBL5062043 0.88 PLK1 (0.70) PLK1PLK3PLK4AURKAJAK2
SCHEMBL5058235 0.86 PLK1 (0.67) PLK1PLK3PLK4AURKAJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465807-B2 Process for preparing benzimidazole thiophenes SMITHKLINE BEECHAM CORPORATION (US) 2008-12-16 US disclosed
US-7465807-B2 Process for preparing benzimidazole thiophenes SMITHKLINE BEECHAM CORPORATION (US) 2008-12-16 US disclosed
US-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ANDREWS CLARENCE W 2008-10-30 US disclosed
US-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ANDREWS CLARENCE W 2008-10-30 US disclosed
US-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ANDREWS CLARENCE W 2008-10-30 US disclosed
US-20070060576-A1 Process for preparing benzimidazole thiophenes SMITHKLINE BEECHAM CORPORATION 2007-03-15 US disclosed
US-20070060576-A1 Process for preparing benzimidazole thiophenes SMITHKLINE BEECHAM CORPORATION 2007-03-15 US disclosed
US-20060074119-A1 Thiophene compounds SMITHKLINE BEECHAM CORPORATION 2006-04-06 US disclosed
EP-1546137-A1 BENZIMIDAZOL-1-YL-THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER SmithKline Beecham Corporation (US) 2005-06-29 EP disclosed
WO-2004014899-A1 THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-19 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-20070060576-A1 Process for preparing benzimidazole thiophenes CYP3A4, TPMT, TYMP PLK1 193/4885PLK3 1161/4885PLK4 367/4885
US-20060074119-A1 Thiophene compounds TPMT, ABCB1, CYP3A5 PLK1 2123/4885PLK3 3731/4885PLK4 2971/4885
US-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ABCB1, TP53, CCNI PLK1 130/4885PLK3 1224/4885PLK4 1019/4885

“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.