SCHEMBL4242645

SCHEMBL4242645

O=C1N=C(Nc2c(Cl)cccc2Cl)S/C1=C\c1ccc2ncn(CCN3CCOCC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
CDK9 P50750 1/20 0.39
SRC P12931 3/20 0.39
LCK P06239 4/20 0.36
MAPK10 P53779 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
ESRRA P11474 1/20 0.36
MAPK8 P45983 1/20 0.36
ENPP2 Q13822 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CISD1 Q9NZ45 1/20 0.35
ACVR1 Q04771 1/20 0.34

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
SCHEMBL4242647 1.00 ALOX5 (0.39) ALOX5CDK9SRCLCKMAPK10
SCHEMBL4242447 0.96 ACVR1 (0.40) ALOX5CDK9SRCLCKMAPK10
SCHEMBL4242444 0.96 ACVR1 (0.40) ALOX5CDK9SRCLCKMAPK10
SCHEMBL4242454 0.93 HDAC1 (0.40) CDK9ESRRAENPP2HDAC1CISD1
SCHEMBL4242457 0.93 HDAC1 (0.40) CDK9ESRRAENPP2HDAC1CISD1
SCHEMBL4249791 0.93 HDAC1 (0.41) CDK9ESRRAENPP2HPGDHDAC1
SCHEMBL4249794 0.93 HDAC1 (0.41) CDK9ESRRAENPP2HPGDHDAC1
SCHEMBL4241832 0.91 CDK9 (0.40) ALOX5CDK9SRCMAPK10MAPK13
SCHEMBL4241829 0.91 CDK9 (0.40) ALOX5CDK9SRCMAPK10MAPK13
SCHEMBL4244021 0.87 ACVR1 (0.41) ALOX5CDK9SRCMAPK10MAPK13

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
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

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 ALOX5 4387/4885CDK9 2965/4885SRC 2511/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA ALOX5 2146/4885CDK9 868/4885SRC 141/4885

“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.