SCHEMBL823487

SCHEMBL823487

Cn1c2cccc(N3CCOCC3)c2c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.45
TP53 P04637 1/20 0.44
KCNE1 P15382 1/20 0.43
CCR1 P32246 1/20 0.43
KCNQ1 P51787 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KCNH2 Q12809 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PSMD14 O00487 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
RECQL P46063 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL823584 0.89 LMNA (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL823514 0.83 TP53 (0.45) CYP2C9TP53KCNE1CCR1KCNQ1
SCHEMBL823503 0.83 TP53 (0.45) CYP2C9TP53KCNE1CCR1KCNQ1
SCHEMBL823392 0.81 TP53 (0.48) CYP2C9TP53KCNE1CCR1KCNQ1
SCHEMBL823566 0.81 ALDH1A1 (0.41) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL823586 0.81 MEN1 (0.57) CYP2C9KCNE1CCR1KCNQ1KMT2A
SCHEMBL6017752 0.79 KCNE1 (0.49) CYP2C9TP53KCNE1CCR1KCNQ1
SCHEMBL6093745 0.78 KCNE1 (0.52) CYP2C9TP53KCNE1CCR1KCNQ1
SCHEMBL359476 0.76 PSMD14 (0.45) CYP2C9TP53KCNE1CCR1KCNQ1
SCHEMBL826035 0.75 TP53 (0.48) CYP2C9TP53KCNE1CCR1KCNQ1

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 18 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-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-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-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-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
EP-2114903-B1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LTD (AU) 2011-01-26 EP disclosed
EP-2114903-B1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LTD (AU) 2011-01-26 EP disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 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
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
WO-2008077188-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2008-07-03 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 (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 CYP2C9 70/4885TP53 2986/4885KCNE1 3502/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD CYP2C9 70/4885TP53 2986/4885KCNE1 3502/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD CYP2C9 70/4885TP53 2986/4885KCNE1 3502/4885

“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.