SCHEMBL4245428

SCHEMBL4245428

Cc1ccc(NC2=NC(=O)C(=Cc3ccc4ncn(C)c4c3)S2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 5/20 0.36
DYRK1A Q13627 5/20 0.36
CLK4 Q9HAZ1 5/20 0.36
DYRK1B Q9Y463 5/20 0.36
DYRK3 O43781 3/20 0.36
CLK2 P49760 3/20 0.36
CLK3 P49761 3/20 0.36
DYRK2 Q92630 3/20 0.36
DYRK4 Q9NR20 3/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
PRMT5 O14744 1/20 0.36
PRMT1 Q99873 1/20 0.36
GSK3B P49841 1/20 0.36
MAPT P10636 4/20 0.36
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 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
SCHEMBL4245423 1.00 CLK1 (0.36) CLK1DYRK1ACLK4DYRK1BDYRK3
SCHEMBL4238393 0.85 PRMT5 (0.37) PRMT5PRMT1MAPTRAB9AALDH1A1
SCHEMBL4238386 0.85 PRMT5 (0.37) PRMT5PRMT1MAPTRAB9AALDH1A1
SCHEMBL5470120 0.84 CLK1 (0.38) CLK1DYRK1ACLK4DYRK1BDYRK3
SCHEMBL5470123 0.84 CLK1 (0.38) CLK1DYRK1ACLK4DYRK1BDYRK3
SCHEMBL4245427 0.83 CISD1 (0.38) CLK1DYRK1ACLK4DYRK1BDYRK3
SCHEMBL4245421 0.83 CISD1 (0.38) CLK1DYRK1ACLK4DYRK1BDYRK3
SCHEMBL4243954 0.82 ENPP2 (0.39) CLK1DYRK1ACLK4DYRK1BDYRK3
SCHEMBL4243949 0.82 ENPP2 (0.39) CLK1DYRK1ACLK4DYRK1BDYRK3
SCHEMBL4244069 0.82 CISD1 (0.42) CLK1DYRK1ACLK4DYRK1BDYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US claimed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP claimed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US claimed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO claimed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CLK1 1716/4885DYRK1A 1409/4885CLK4 1963/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA CLK1 2689/4885DYRK1A 1682/4885CLK4 2615/4885

“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.