SCHEMBL2787534

SCHEMBL2787534

O=C1NC(=Nc2ccccc2Cl)SC1=Cc1ccc2ncsc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK3 O43781 5/20 0.69
▸ GSK3B P49841 4/20 0.65
▸ TUBB4A P04350 1/20 0.59
▸ TUBB P07437 1/20 0.59
▸ TUBA3C P0DPH7 1/20 0.59
▸ TUBA1B P68363 1/20 0.59
▸ TUBA4A P68366 1/20 0.59
▸ TUBB4B P68371 1/20 0.59
▸ TUBB3 Q13509 1/20 0.59
▸ TUBB2A Q13885 1/20 0.59
▸ TUBB8 Q3ZCM7 1/20 0.59
▸ TUBA3E Q6PEY2 1/20 0.59
▸ TUBA1A Q71U36 1/20 0.59
▸ TUBA1C Q9BQE3 1/20 0.59
▸ TUBB6 Q9BUF5 1/20 0.59
▸ TUBB2B Q9BVA1 1/20 0.59
▸ TUBB1 Q9H4B7 1/20 0.59
▸ CLK1 P49759 3/20 0.59
▸ DYRK1A Q13627 3/20 0.59
▸ DYRK2 Q92630 3/20 0.59

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
SCHEMBL2787533 1.00 DYRK3 (0.69) DYRK3GSK3BTUBB4ATUBBTUBA3C
SCHEMBL13196777 1.00 DYRK3 (0.69) DYRK3GSK3BTUBB4ATUBBTUBA3C
SCHEMBL2787898 0.89 CLK1 (0.73) DYRK3GSK3BCLK1DYRK1ADYRK2
SCHEMBL2787896 0.89 CLK1 (0.73) DYRK3GSK3BCLK1DYRK1ADYRK2
SCHEMBL13196791 0.89 CLK1 (0.73) DYRK3GSK3BCLK1DYRK1ADYRK2
SCHEMBL13041816 0.85 DYRK3 (0.80) DYRK3GSK3BTUBB4ATUBBTUBA3C
SCHEMBL2786264 0.85 DYRK3 (0.80) DYRK3GSK3BTUBB4ATUBBTUBA3C
SCHEMBL2786265 0.85 DYRK3 (0.80) DYRK3GSK3BTUBB4ATUBBTUBA3C
SCHEMBL13078042 0.85 DYRK3 (0.80) DYRK3GSK3BTUBB4ATUBBTUBA3C
SCHEMBL3390280 0.84 DYRK3 (0.78) DYRK3GSK3BTUBB4ATUBBTUBA3C

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 DYRK3 1446/4885GSK3B 503/4885TUBB4A 1155/4885
US-20090023742-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA DYRK3 1357/4885GSK3B 101/4885TUBB4A 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.

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