SCHEMBL4240631

SCHEMBL4240631

Cn1c(C(F)(F)F)nc2ccc(/C=C3\SC(Nc4ccccc4Cl)=NC3=O)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.36
CISD1 Q9NZ45 1/20 0.36
ALOX5 P09917 4/20 0.35
CHRM4 P08173 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
DYRK3 O43781 1/20 0.33
HDAC1 Q13547 1/20 0.32
ESRRA P11474 1/20 0.32
LCK P06239 1/20 0.32
ACSS2 Q9NR19 2/20 0.31
MAPT P10636 1/20 0.31
DDX3X O00571 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
SCHEMBL4240636 1.00 ENPP2 (0.36) ENPP2CISD1ALOX5CHRM4KMT2A
SCHEMBL4238325 0.92 ENPP2 (0.37) ENPP2CISD1ALOX5KMT2AMEN1
SCHEMBL4238322 0.92 ENPP2 (0.37) ENPP2CISD1ALOX5KMT2AMEN1
SCHEMBL4241909 0.90 CISD1 (0.38) ENPP2CISD1ALOX5CHRM4KMT2A
SCHEMBL4241911 0.90 CISD1 (0.38) ENPP2CISD1ALOX5CHRM4KMT2A
SCHEMBL4237282 0.87 NPC1 (0.42) ENPP2CISD1ALOX5KMT2AMEN1
SCHEMBL4237289 0.87 NPC1 (0.42) ENPP2CISD1ALOX5KMT2AMEN1
SCHEMBL4241809 0.82 ENPP2 (0.37) ENPP2CISD1ALOX5KMT2AMEN1
SCHEMBL4241818 0.82 ENPP2 (0.37) ENPP2CISD1ALOX5KMT2AMEN1
SCHEMBL4241997 0.82 TP53 (0.39) ENPP2CISD1ALOX5KMT2AMEN1

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
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US claimed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP claimed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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 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.