SCHEMBL4241909

SCHEMBL4241909

Cn1c(C(F)(F)F)nc2ccc(/C=C3\SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.38
ENPP2 Q13822 1/20 0.37
CHRM4 P08173 2/20 0.35
ALOX5 P09917 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
C1R P00736 1/20 0.33
XDH P47989 1/20 0.33
ESRRA P11474 1/20 0.32
DYRK3 O43781 3/20 0.31
CLK1 P49759 2/20 0.31
CLK2 P49760 2/20 0.31
CLK3 P49761 2/20 0.31
DYRK1A Q13627 2/20 0.31
DYRK2 Q92630 2/20 0.31
CLK4 Q9HAZ1 2/20 0.31
DYRK1B Q9Y463 2/20 0.31
LCK P06239 3/20 0.31
CSNK1E P49674 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL4241911 1.00 CISD1 (0.38) CISD1ENPP2CHRM4ALOX5MEN1
SCHEMBL4241809 0.92 ENPP2 (0.37) CISD1ENPP2ALOX5MEN1KMT2A
SCHEMBL4241818 0.92 ENPP2 (0.37) CISD1ENPP2ALOX5MEN1KMT2A
SCHEMBL4240636 0.90 ENPP2 (0.36) CISD1ENPP2CHRM4ALOX5MEN1
SCHEMBL4240631 0.90 ENPP2 (0.36) CISD1ENPP2CHRM4ALOX5MEN1
SCHEMBL4248938 0.87 ENPP2 (0.39) CISD1ENPP2ALOX5MEN1KMT2A
SCHEMBL4248941 0.87 ENPP2 (0.39) CISD1ENPP2ALOX5MEN1KMT2A
SCHEMBL4237434 0.87 CISD1 (0.36) CISD1ENPP2ALOX5MEN1KMT2A
SCHEMBL4237426 0.87 CISD1 (0.36) CISD1ENPP2ALOX5MEN1KMT2A
SCHEMBL4238325 0.82 ENPP2 (0.37) CISD1ENPP2ALOX5MEN1KMT2A

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 CISD1 2650/4885ENPP2 1265/4885CHRM4 4454/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA CISD1 4327/4885ENPP2 562/4885CHRM4 3693/4885

“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.