SCHEMBL3637087

SCHEMBL3637087

CCS(=O)(=O)Nc1ccc(Cl)c(NC2=NC(=O)/C(=C/c3ccc4nccnc4c3)S2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.39
DYRK1A Q13627 2/20 0.39
DYRK2 Q92630 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
CISD1 Q9NZ45 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PIK3CD O00329 1/20 0.39
CSNK2A2 P19784 1/20 0.39
MAOB P27338 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
DYRK3 O43781 2/20 0.38
CSNK1E P49674 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38

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
SCHEMBL3637091 1.00 CLK1 (0.39) CLK1DYRK1ADYRK2DYRK1BCISD1
SCHEMBL3640892 0.90 DYRK3 (0.43) CLK1DYRK1ADYRK2DYRK1BCISD1
SCHEMBL3640896 0.90 DYRK3 (0.43) CLK1DYRK1ADYRK2DYRK1BCISD1
SCHEMBL2987479 0.89 CLK1 (0.39) CLK1DYRK1ADYRK2DYRK1BCISD1
SCHEMBL2987482 0.89 CLK1 (0.39) CLK1DYRK1ADYRK2DYRK1BCISD1
SCHEMBL2990900 0.85 ALOX5 (0.44) CLK1DYRK1ADYRK2DYRK1BCISD1
SCHEMBL2990895 0.85 ALOX5 (0.44) CLK1DYRK1ADYRK2DYRK1BCISD1
SCHEMBL2989591 0.84 NPC1 (0.41) CLK1DYRK1ADYRK2DYRK1BCISD1
SCHEMBL2989589 0.84 NPC1 (0.41) CLK1DYRK1ADYRK2DYRK1BCISD1
SCHEMBL2992958 0.84 BRAF (0.45) CLK1DYRK1ADYRK2DYRK1BCISD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US claimed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 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 (1 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 CLK1 1393/4885DYRK1A 1531/4885DYRK2 1778/4885

“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.