SCHEMBL4243949

SCHEMBL4243949

Cn1cnc2ccc(/C=C3\SC(Nc4ccccc4Cl)=NC3=O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.39
CISD1 Q9NZ45 1/20 0.38
ALOX5 P09917 3/20 0.37
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 4/20 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
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GSK3B P49841 1/20 0.36
HDAC1 Q13547 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
SCHEMBL4243954 1.00 ENPP2 (0.39) ENPP2CISD1ALOX5CLK1DYRK1A
SCHEMBL4245862 0.89 CISD1 (0.40) ENPP2CISD1ALOX5CLK1DYRK1A
SCHEMBL4245867 0.89 CISD1 (0.40) ENPP2CISD1ALOX5CLK1DYRK1A
SCHEMBL4244069 0.88 CISD1 (0.42) ENPP2CISD1ALOX5CLK1DYRK1A
SCHEMBL4244067 0.88 CISD1 (0.42) ENPP2CISD1ALOX5CLK1DYRK1A
SCHEMBL4237331 0.87 MCHR1 (0.41) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL4237335 0.87 MCHR1 (0.41) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL4248162 0.86 HSD17B13 (0.41) ENPP2CISD1ALOX5DYRK3MEN1
SCHEMBL4248165 0.86 HSD17B13 (0.41) ENPP2CISD1ALOX5DYRK3MEN1
SCHEMBL4238061 0.86 CLK1 (0.36) CISD1CLK1DYRK1ACLK4DYRK1B

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-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US claimed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US 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 ENPP2 1265/4885CISD1 2650/4885ALOX5 4387/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA ENPP2 562/4885CISD1 4327/4885ALOX5 2146/4885

“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.