SCHEMBL826094

SCHEMBL826094

CN(C)S(=O)(=O)c1ccc2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
CCR1 P32246 3/20 0.47
CYP2C9 P11712 1/20 0.46
KCNE1 P15382 1/20 0.45
KCNQ1 P51787 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ATM Q13315 1/20 0.40
NR2F2 P24468 1/20 0.40

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
SCHEMBL826244 0.87 CA2 (0.48) KCNH2CCR1CYP2C9KCNE1KCNQ1
SCHEMBL826202 0.84 CYP2C9 (0.49) KCNH2CCR1CYP2C9KCNE1KCNQ1
SCHEMBL823370 0.83 KCNE1 (0.49) KCNH2CCR1CYP2C9KCNE1KCNQ1
SCHEMBL826219 0.81 LMNA (0.58) SMN1; SMN2KMT2A
SCHEMBL823368 0.81 CYP2C9 (0.55) KCNH2CCR1CYP2C9KCNE1KCNQ1
SCHEMBL823326 0.81 SMN1; SMN2 (0.47) KCNH2CCR1CYP2C9KCNE1KCNQ1
SCHEMBL823513 0.81 ERCC1 (0.48) KCNH2CCR1CYP2C9KCNE1KCNQ1
SCHEMBL826056 0.80 CYP2C9 (0.46) KCNH2CCR1CYP2C9KCNE1KCNQ1
SCHEMBL845490 0.79 CYP2C9 (0.51) KCNH2CCR1CYP2C9KCNE1KCNQ1
SCHEMBL826625 0.79 SMN1; SMN2 (0.45) KCNH2CCR1CYP2C9KCNE1KCNQ1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-09-13 US disclosed
US-8207334-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-06-26 US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 US disclosed
EP-2269992-A1 Bicyclic pyrimidinones for the treatment of viral infections Avexa Limited (AU) 2011-01-05 EP disclosed
EP-2269992-A1 Bicyclic pyrimidinones for the treatment of viral infections Avexa Limited (AU) 2011-01-05 EP disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 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 (3 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-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD KCNH2 2546/4885CCR1 232/4885CYP2C9 70/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD KCNH2 2546/4885CCR1 232/4885CYP2C9 70/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD KCNH2 2546/4885CCR1 232/4885CYP2C9 70/4885

“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.