SCHEMBL4248938

SCHEMBL4248938

Cc1nc2ccc(/C=C3\SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.39
ALOX5 P09917 5/20 0.39
CISD1 Q9NZ45 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LCK P06239 6/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NSD2 O96028 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
DYRK3 O43781 2/20 0.33

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
SCHEMBL4248941 1.00 ENPP2 (0.39) ENPP2ALOX5CISD1KMT2AMEN1
SCHEMBL4237282 0.89 NPC1 (0.42) ENPP2ALOX5CISD1KMT2AMEN1
SCHEMBL4237289 0.89 NPC1 (0.42) ENPP2ALOX5CISD1KMT2AMEN1
SCHEMBL4240381 0.88 KMT2A (0.37) ENPP2ALOX5CISD1KMT2AMEN1
SCHEMBL4240380 0.88 KMT2A (0.37) ENPP2ALOX5CISD1KMT2AMEN1
SCHEMBL4241809 0.88 ENPP2 (0.37) ENPP2ALOX5CISD1KMT2AMEN1
SCHEMBL4241818 0.88 ENPP2 (0.37) ENPP2ALOX5CISD1KMT2AMEN1
SCHEMBL4246816 0.87 KMT2A (0.39) ENPP2ALOX5CISD1KMT2AMEN1
SCHEMBL4246823 0.87 KMT2A (0.39) ENPP2ALOX5CISD1KMT2AMEN1
SCHEMBL4241909 0.87 CISD1 (0.38) ENPP2ALOX5CISD1KMT2AMEN1

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 4 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

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 1265/4885ALOX5 4387/4885CISD1 2650/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA ENPP2 562/4885ALOX5 2146/4885CISD1 4327/4885

“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.