SCHEMBL5062604

SCHEMBL5062604

Cc1ccccc1COc1cc(-n2cnc3ccccc32)sc1C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 20/20 0.83
NEK2 P51955 3/20 0.62
CSF1R P07333 2/20 0.62
PIM1 P11309 2/20 0.62
KDR P35968 2/20 0.62
LIMK1 P53667 2/20 0.62
STK3 Q13188 2/20 0.62
DYRK1A Q13627 2/20 0.62
PKN2 Q16513 2/20 0.62
HIPK4 Q8NE63 2/20 0.62
BRSK1 Q8TDC3 2/20 0.62
AURKB Q96GD4 2/20 0.62
PLK3 Q9H4B4 2/20 0.62
CLK4 Q9HAZ1 2/20 0.62
MAP4K5 Q9Y4K4 2/20 0.62
MAP4K4 O95819 1/20 0.62
CAMK2B Q13554 1/20 0.62
CAMK2G Q13555 1/20 0.62
CAMK2D Q13557 1/20 0.62
CAMK1 Q14012 1/20 0.62

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
SCHEMBL5063355 0.93 PLK1 (0.85) PLK1NEK2CSF1RPIM1KDR
SCHEMBL5062263 0.91 PLK1 (0.70) PLK1NEK2CSF1RPIM1KDR
SCHEMBL4041917 0.91 PLK1 (1.00) PLK1NEK2CSF1RPIM1KDR
SCHEMBL5067436 0.90 PLK1 (0.80) PLK1NEK2CSF1RPIM1KDR
SCHEMBL5066012 0.90 PLK1 (0.80) PLK1NEK2CSF1RPIM1KDR
SCHEMBL5062393 0.89 PLK1 (0.68) PLK1NEK2CSF1RPIM1KDR
SCHEMBL5067419 0.89 PLK1 (0.68) PLK1NEK2CSF1RPIM1KDR
SCHEMBL5058224 0.89 PLK1 (0.68) PLK1NEK2CSF1RPIM1KDR
SCHEMBL5062494 0.89 PLK1 (0.85) PLK1NEK2CSF1RPIM1KDR
SCHEMBL5062584 0.89 PLK1 (0.76) PLK1NEK2CSF1RPIM1KDR

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 193/4885NEK2 2846/4885CSF1R 4003/4885
US-20060074119-A1 Thiophene compounds TPMT, ABCB1, CYP3A5 PLK1 2123/4885NEK2 4031/4885CSF1R 3595/4885
US-20080269298-A1 Benzimidazol-1-YL-thiophene compounds for the treatment of cancer ABCB1, TP53, CCNI PLK1 130/4885NEK2 636/4885CSF1R 1870/4885

“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.