SCHEMBL5063376

SCHEMBL5063376

NC(=O)c1sc(-n2cnc3cc(F)c(OCCN4CCOCC4)cc32)cc1OCc1ccccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.67
NEK2 P51955 4/20 0.67
PLK3 Q9H4B4 4/20 0.67
CSF1R P07333 3/20 0.67
KDR P35968 3/20 0.67
LIMK1 P53667 3/20 0.67
STK3 Q13188 3/20 0.67
DYRK1A Q13627 3/20 0.67
BRSK1 Q8TDC3 3/20 0.67
CLK4 Q9HAZ1 3/20 0.67
MAP4K5 Q9Y4K4 3/20 0.67
MAP4K4 O95819 2/20 0.67
SLK Q9H2G2 2/20 0.67
PLK4 O00444 2/20 0.67
AURKA O14965 2/20 0.67
JAK2 O60674 2/20 0.67
LCK P06239 2/20 0.67
FGFR1 P11362 2/20 0.67
SRC P12931 2/20 0.67
FLT1 P17948 2/20 0.67

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
SCHEMBL4041060 0.92 PLK1 (0.78) PLK1NEK2PLK3CSF1RKDR
SCHEMBL5067369 0.92 PLK1 (0.78) PLK1NEK2PLK3CSF1RKDR
SCHEMBL5062032 0.90 PLK1 (0.73) PLK1NEK2PLK3CSF1RKDR
SCHEMBL5058163 0.85 PLK1 (0.81) PLK1NEK2PLK3CSF1RKDR
SCHEMBL4034885 0.83 PLK1 (0.64) PLK1NEK2PLK3CSF1RKDR
SCHEMBL5058165 0.83 PLK1 (0.76) PLK1NEK2PLK3CSF1RKDR
SCHEMBL3729503 0.82 PLK1 (0.61) PLK1NEK2PLK3CSF1RKDR
SCHEMBL6041639 0.81 PLK1 (0.75) PLK1NEK2PLK3CSF1RKDR
SCHEMBL3745697 0.81 PLK1 (0.60) PLK1NEK2PLK3CSF1RKDR
Gw843682X SCHEMBL1286884 0.81 PLK1 (1.00) PLK1NEK2PLK3CSF1RKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060074119-A1 Thiophene compounds SMITHKLINE BEECHAM CORPORATION 2006-04-06 US claimed
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 193/4885NEK2 2846/4885PLK3 1161/4885
US-20060074119-A1 Thiophene compounds TPMT, ABCB1, CYP3A5 PLK1 2123/4885NEK2 4031/4885PLK3 3731/4885
US-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ABCB1, TP53, CCNI PLK1 130/4885NEK2 636/4885PLK3 1224/4885

“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.