SCHEMBL4157218

SCHEMBL4157218

O=C1N=C(Nc2c(Cl)cccc2Cl)S/C1=C\c1ccc2ncncc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.41
DYRK3 O43781 3/20 0.39
CLK1 P49759 2/20 0.36
CLK3 P49761 2/20 0.36
DYRK1A Q13627 2/20 0.36
DYRK2 Q92630 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
CSNK1E P49674 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK4 Q9NR20 1/20 0.36
ALOX5 P09917 7/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PIK3CD O00329 1/20 0.35
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL4157222 1.00 CISD1 (0.41) CISD1DYRK3CLK1CLK3DYRK1A
SCHEMBL2993764 0.85 ALOX5 (0.41) CISD1DYRK3CLK1CLK3DYRK1A
SCHEMBL2993762 0.85 ALOX5 (0.41) CISD1DYRK3CLK1CLK3DYRK1A
SCHEMBL2996035 0.82 CISD1 (0.42) CISD1DYRK3CLK1CLK3DYRK1A
SCHEMBL2996885 0.82 CISD1 (0.41) CISD1DYRK3CLK1CLK3DYRK1A
SCHEMBL2996033 0.82 CISD1 (0.42) CISD1DYRK3CLK1CLK3DYRK1A
SCHEMBL2996880 0.82 CISD1 (0.41) CISD1DYRK3CLK1CLK3DYRK1A
SCHEMBL2990461 0.82 CISD1 (0.39) CISD1DYRK3CLK1CLK3DYRK1A
SCHEMBL2990466 0.82 CISD1 (0.39) CISD1DYRK3CLK1CLK3DYRK1A
SCHEMBL2995795 0.82 DYRK3 (0.39) CISD1DYRK3CLK1CLK3DYRK1A

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-20090082349-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-03-26 US claimed
EP-1996191-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-12-03 EP claimed
US-20080261974-A1 Novel Chemical Compounds DUFFY KEVIN J 2008-10-23 US claimed
WO-2007103759-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO claimed
US-20090082349-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-03-26 US disclosed
EP-1996191-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-12-03 EP disclosed
US-20080261974-A1 Novel Chemical Compounds DUFFY KEVIN J 2008-10-23 US disclosed
EP-1940812-A2 NOVEL CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007103759-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed
WO-2007038331-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 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-20080261974-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CISD1 2682/4885DYRK3 1446/4885CLK1 1252/4885
US-20090082349-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA CISD1 4327/4885DYRK3 1357/4885CLK1 2689/4885

“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.