SCHEMBL845490

SCHEMBL845490

CN(C)C(=O)C(=O)Nc1ccc2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.51
KCNH2 Q12809 1/20 0.45
KCNE1 P15382 1/20 0.44
CCR1 P32246 1/20 0.44
KCNQ1 P51787 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
METTL3 Q86U44 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CALCA P06881 1/20 0.37

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
SCHEMBL823518 0.85 KCNE1 (0.46) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL826056 0.84 CYP2C9 (0.46) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL826202 0.82 CYP2C9 (0.49) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL823370 0.81 KCNE1 (0.49) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL826094 0.79 KCNH2 (0.52) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL823326 0.79 SMN1; SMN2 (0.47) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL823368 0.79 CYP2C9 (0.55) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL823513 0.79 ERCC1 (0.48) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL826625 0.77 SMN1; SMN2 (0.45) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL826114 0.77 CYP2C9 (0.46) CYP2C9KCNH2KCNE1CCR1KCNQ1

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-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
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 CYP2C9 70/4885KCNH2 2546/4885KCNE1 3502/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD CYP2C9 70/4885KCNH2 2546/4885KCNE1 3502/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD CYP2C9 70/4885KCNH2 2546/4885KCNE1 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.