SCHEMBL4246823

SCHEMBL4246823

Cc1nc2ccc(C=C3SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2n1CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
CISD1 Q9NZ45 1/20 0.39
ENPP2 Q13822 3/20 0.36
ALOX5 P09917 3/20 0.35
ACKR3 P25106 1/20 0.35
CCR5 P51681 1/20 0.35
LCK P06239 3/20 0.34
MEN1 O00255 3/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC1 Q13547 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NSD2 O96028 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 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
SCHEMBL4246816 1.00 KMT2A (0.39) KMT2ACISD1ENPP2ALOX5ACKR3
SCHEMBL4244782 0.90 CISD1 (0.36) KMT2ACISD1ENPP2ALOX5LCK
SCHEMBL4244779 0.90 CISD1 (0.36) KMT2ACISD1ENPP2ALOX5LCK
SCHEMBL4238397 0.88 RAB9A (0.38) KMT2ACISD1ENPP2LCKMEN1
SCHEMBL4238395 0.88 RAB9A (0.38) KMT2ACISD1ENPP2LCKMEN1
SCHEMBL4248938 0.87 ENPP2 (0.39) KMT2ACISD1ENPP2ALOX5LCK
SCHEMBL4248941 0.87 ENPP2 (0.39) KMT2ACISD1ENPP2ALOX5LCK
SCHEMBL4241167 0.80 GSK3B (0.38) KMT2ACISD1ENPP2ALOX5MEN1
SCHEMBL4241164 0.80 GSK3B (0.38) KMT2ACISD1ENPP2ALOX5MEN1
SCHEMBL4241818 0.79 ENPP2 (0.37) KMT2ACISD1ENPP2ALOX5LCK

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 9 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
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 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 KMT2A 2981/4885CISD1 2650/4885ENPP2 1265/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA KMT2A 3096/4885CISD1 4327/4885ENPP2 562/4885

“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.