SCHEMBL823345

SCHEMBL823345

[C-]#[N+]c1cn(Cc2ccc(F)cc2)n2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.45
CCR1 P32246 1/20 0.45
KCNQ1 P51787 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP2C9 P11712 1/20 0.41
PTGER4 P35408 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
CALCA P06881 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL826189 0.83 KCNE1 (0.43) KCNE1CCR1KCNQ1SMN1; SMN2ERCC1
SCHEMBL823340 0.79 KCNE1 (0.47) KCNE1CCR1KCNQ1SMN1; SMN2ERCC1
SCHEMBL823338 0.78 MEN1 (0.51) KCNE1CCR1KCNQ1SMN1; SMN2ERCC1
SCHEMBL823497 0.72 SMN1; SMN2 (0.52) KCNE1CCR1KCNQ1SMN1; SMN2ERCC1
SCHEMBL823586 0.71 MEN1 (0.57) KCNE1CCR1KCNQ1SMN1; SMN2ERCC1
SCHEMBL823316 0.71 CNR1 (0.47) KCNE1CCR1KCNQ1
SCHEMBL823318 0.71 SMN1; SMN2 (0.53) KCNE1CCR1KCNQ1SMN1; SMN2ERCC1
SCHEMBL12952902 0.71 ERCC1 (0.44) KCNE1CCR1KCNQ1SMN1; SMN2ERCC1
SCHEMBL823368 0.70 CYP2C9 (0.55) KCNE1CCR1KCNQ1SMN1; SMN2ERCC1
SCHEMBL4555867 0.69 SMN1; SMN2 (0.48) KCNE1CCR1KCNQ1SMN1; SMN2ERCC1

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-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
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
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 KCNE1 3502/4885CCR1 232/4885KCNQ1 3140/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD KCNE1 3502/4885CCR1 232/4885KCNQ1 3140/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD KCNE1 3502/4885CCR1 232/4885KCNQ1 3140/4885

“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.