SCHEMBL2790132

SCHEMBL2790132

NC(=O)c1cccc(NC2=NC(=O)/C(=C\c3ccc4ncccc4c3)S2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
PIM1 P11309 1/20 0.45
CSNK2A2 P19784 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CG P48736 1/20 0.45
CLK1 P49759 1/20 0.45
CLK3 P49761 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
DYRK1A Q13627 1/20 0.45
HASPIN Q8TF76 1/20 0.45
DYRK2 Q92630 1/20 0.45
MYLK2 Q9H1R3 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
STK17A Q9UEE5 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL2790134 1.00 PIK3CD (0.45) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL2789183 0.90 NPC1 (0.48) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL2789187 0.90 NPC1 (0.48) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL2990448 0.85 CLK1 (0.45) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL2990443 0.85 CLK1 (0.45) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL2788502 0.83 CSNK2A2 (0.45) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL2788506 0.83 CSNK2A2 (0.45) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL2995105 0.82 PIK3CD (0.52) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL2995102 0.82 PIK3CD (0.52) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG
SCHEMBL2999979 0.81 MAPT (0.48) PIK3CDPIM1CSNK2A2PIK3CAPIK3CG

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
EP-1567112-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-11-15 EP claimed
EP-1567112-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-31 EP claimed
WO-2004047760-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-10 WO 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-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
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
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 (2 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 PIK3CD 2145/4885PIM1 2267/4885CSNK2A2 465/4885
US-20090023742-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA PIK3CD 4/4885PIM1 169/4885CSNK2A2 2699/4885

“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.