SCHEMBL4240330

SCHEMBL4240330

CN1CCN(Cc2nc3ccc(C=C4SC(Nc5c(Cl)cccc5Cl)=NC4=O)cc3n2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.43
KDM4E B2RXH2 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
HDAC1 Q13547 1/20 0.40
DRD4 P21917 4/20 0.40
GRM2 Q14416 4/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
GRIN1 Q05586 4/20 0.36
GRIN2B Q13224 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
MCHR1 Q99705 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
SCHEMBL4240327 1.00 ENPP2 (0.43) ENPP2KDM4EOPRM1OPRD1HDAC1
SCHEMBL4238440 0.92 MAPK1 (0.44) ENPP2KDM4EOPRM1OPRD1HDAC1
SCHEMBL4238446 0.92 MAPK1 (0.44) ENPP2KDM4EOPRM1OPRD1HDAC1
SCHEMBL4240266 0.91 ENPP2 (0.42) ENPP2KDM4EOPRM1OPRD1HDAC1
SCHEMBL4240262 0.91 ENPP2 (0.42) ENPP2KDM4EOPRM1OPRD1HDAC1
SCHEMBL4237563 0.83 MAPK1 (0.46) ENPP2KDM4EOPRM1OPRD1HDAC1
SCHEMBL4237561 0.83 MAPK1 (0.46) ENPP2KDM4EOPRM1OPRD1HDAC1
SCHEMBL4248938 0.82 ENPP2 (0.39) ENPP2KDM4ELMNAPOLB
SCHEMBL4248941 0.82 ENPP2 (0.39) ENPP2KDM4ELMNAPOLB
SCHEMBL4240334 0.81 ENPP2 (0.42) ENPP2HDAC1DRD4DRD2DRD3

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 1265/4885KDM4E 2565/4885OPRM1 4665/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA ENPP2 562/4885KDM4E 3686/4885OPRM1 4185/4885

“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.