SCHEMBL2787380

SCHEMBL2787380

Nc1ccc(Cl)c(NC2=NC(=O)C(=Cc3ccc4ncccc4c3)S2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 4/20 0.56
PIK3CD O00329 1/20 0.46
PIM1 P11309 1/20 0.46
CSNK2A2 P19784 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CG P48736 1/20 0.46
CLK1 P49759 1/20 0.46
CLK3 P49761 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
DYRK1A Q13627 1/20 0.46
HASPIN Q8TF76 1/20 0.46
DYRK2 Q92630 1/20 0.46
MYLK2 Q9H1R3 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
STK17A Q9UEE5 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL2787378 1.00 DYRK3 (0.56) DYRK3PIK3CDPIM1CSNK2A2PIK3CA
SCHEMBL4100843 0.93 DYRK3 (0.57) DYRK3PIK3CDPIM1CSNK2A2PIK3CA
SCHEMBL4100838 0.93 DYRK3 (0.57) DYRK3PIK3CDPIM1CSNK2A2PIK3CA
SCHEMBL2999201 0.89 DYRK3 (0.50) DYRK3PIK3CDPIM1CSNK2A2PIK3CA
SCHEMBL2999196 0.89 DYRK3 (0.50) DYRK3PIK3CDPIM1CSNK2A2PIK3CA
SCHEMBL2985121 0.88 DYRK3 (0.46) DYRK3PIK3CDPIM1CSNK2A2PIK3CA
SCHEMBL2985118 0.88 DYRK3 (0.46) DYRK3PIK3CDPIM1CSNK2A2PIK3CA
SCHEMBL2991252 0.88 DYRK3 (0.46) DYRK3PIK3CDPIM1CSNK2A2PIK3CA
SCHEMBL2991249 0.88 DYRK3 (0.46) DYRK3PIK3CDPIM1CSNK2A2PIK3CA
SCHEMBL5033042 0.88 DYRK3 (0.46) DYRK3PIK3CDPIM1CSNK2A2PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767701-B2 protein serine/threonine kinase inhibitors such as 2-(2-Chloro-5-fluoro-phenylimino)-5-(2,3-dihydro-benzo[1-6]dioxin-6-ylmethylene)-thiazolidin-4-one, used for treating autoimmune diseases, HIV, cancer, anemia myelodysplastic syndrome and thrombocytopenia GLAXOSMITHKLINE LLC (US) 2010-08-03 US claimed
US-20090023742-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-01-22 US claimed
EP-1993535-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP claimed
EP-1567112-B1 THIAZOLIDIN-4-ONES FOR INHIBITING hYAK3 PROTEINS SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP claimed
WO-2007103754-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO claimed
US-20060293338-A1 Novel chemical compounds GLAXOSMITHKLINE LLC 2006-12-28 US claimed
US-7767701-B2 protein serine/threonine kinase inhibitors such as 2-(2-Chloro-5-fluoro-phenylimino)-5-(2,3-dihydro-benzo[1-6]dioxin-6-ylmethylene)-thiazolidin-4-one, used for treating autoimmune diseases, HIV, cancer, anemia myelodysplastic syndrome and thrombocytopenia GLAXOSMITHKLINE LLC (US) 2010-08-03 US disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
US-20090023742-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
EP-1993535-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
EP-1567112-B1 THIAZOLIDIN-4-ONES FOR INHIBITING hYAK3 PROTEINS SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2007103754-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed
US-20060293338-A1 Novel chemical compounds GLAXOSMITHKLINE LLC 2006-12-28 US disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO disclosed
EP-1567112-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-11-15 EP disclosed
EP-1567112-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-31 EP disclosed
WO-2004047760-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-10 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-20060293338-A1 Novel chemical compounds HIPK3, HIPK1, HIPK4 DYRK3 1446/4885PIK3CD 2145/4885PIM1 2267/4885
US-20090023742-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA DYRK3 1357/4885PIK3CD 4/4885PIM1 169/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 DYRK3 1471/4885PIK3CD 2485/4885PIM1 2800/4885

“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.