SCHEMBL4238446

SCHEMBL4238446

Cn1c(CN2CCOCC2)nc2ccc(C=C3SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD4 P21917 2/20 0.39
GRM2 Q14416 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
LCK P06239 4/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
HDAC1 Q13547 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
ALOX5 P09917 1/20 0.36
ESRRA P11474 1/20 0.36
ENPP2 Q13822 2/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL4238440 1.00 MAPK1 (0.44) MAPK1LMNATSHRSMN1; SMN2DRD4
SCHEMBL4240330 0.92 ENPP2 (0.43) MAPK1LMNASMN1; SMN2DRD4GRM2
SCHEMBL4240327 0.92 ENPP2 (0.43) MAPK1LMNASMN1; SMN2DRD4GRM2
SCHEMBL4237563 0.91 MAPK1 (0.46) MAPK1LMNATSHRSMN1; SMN2DRD4
SCHEMBL4237561 0.91 MAPK1 (0.46) MAPK1LMNATSHRSMN1; SMN2DRD4
SCHEMBL4248199 0.88 LCK (0.43) SMN1; SMN2LCKALDH1A1ALOX5
SCHEMBL4248201 0.88 LCK (0.43) SMN1; SMN2LCKALDH1A1ALOX5
SCHEMBL4240262 0.83 ENPP2 (0.42) MAPK1LMNASMN1; SMN2DRD4GRM2
SCHEMBL4240266 0.83 ENPP2 (0.42) MAPK1LMNASMN1; SMN2DRD4GRM2
SCHEMBL4242647 0.82 ALOX5 (0.39) MAPK1LCKHDAC1ALOX5ESRRA

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 10 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
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 MAPK1 1623/4885LMNA 1240/4885TSHR 4520/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA MAPK1 1490/4885LMNA 4788/4885TSHR 1457/4885

“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.