SCHEMBL4248116

SCHEMBL4248116

CN(C)CCn1nnc2ccc(C=C3SC(Nc4ccccc4Cl)=NC3=O)cc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.39
ENPP2 Q13822 2/20 0.35
CISD1 Q9NZ45 1/20 0.35
ALOX5 P09917 2/20 0.34
CDK9 P50750 1/20 0.34
KMT2A Q03164 2/20 0.33
HDAC1 Q13547 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
BRD4 O60885 1/20 0.32
DDX3X O00571 1/20 0.32
NQO1 P15559 1/20 0.32
NQO2 P16083 1/20 0.32
KMO O15229 1/20 0.31
DYRK3 O43781 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 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
SCHEMBL4248112 1.00 TDO2 (0.39) TDO2ENPP2CISD1ALOX5CDK9
SCHEMBL4244041 0.90 TDO2 (0.38) TDO2ENPP2CISD1ALOX5CDK9
SCHEMBL4244036 0.90 TDO2 (0.38) TDO2ENPP2CISD1ALOX5CDK9
SCHEMBL4244002 0.86 ENPP2 (0.39) ENPP2CISD1ALOX5KMT2AHDAC1
SCHEMBL4243999 0.86 ENPP2 (0.39) ENPP2CISD1ALOX5KMT2AHDAC1
SCHEMBL4245898 0.85 HTR6 (0.42) ENPP2CISD1ALOX5CDK9KMT2A
SCHEMBL4245895 0.85 HTR6 (0.42) ENPP2CISD1ALOX5CDK9KMT2A
SCHEMBL4241167 0.85 GSK3B (0.38) ENPP2CISD1ALOX5KMT2AHDAC1
SCHEMBL4241164 0.85 GSK3B (0.38) ENPP2CISD1ALOX5KMT2AHDAC1
SCHEMBL4247098 0.82 RAD52 (0.36) ENPP2CISD1ALOX5KMT2ANQO1

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 12 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
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
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO 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 TDO2 3801/4885ENPP2 1265/4885CISD1 2650/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA TDO2 3442/4885ENPP2 562/4885CISD1 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.