SCHEMBL826056

SCHEMBL826056

CN(C)CCNc1ccc2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
KCNH2 Q12809 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
KCNE1 P15382 1/20 0.42
CCR1 P32246 1/20 0.42
KCNQ1 P51787 1/20 0.42
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CALCA P06881 1/20 0.38
CES2 O00748 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
SCHEMBL826202 0.85 CYP2C9 (0.49) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL845490 0.84 CYP2C9 (0.51) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL826114 0.83 CYP2C9 (0.46) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL823370 0.82 KCNE1 (0.49) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL823518 0.82 KCNE1 (0.46) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL825681 0.81 KDM4E (0.47) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL826094 0.80 KCNH2 (0.52) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL823326 0.80 SMN1; SMN2 (0.47) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL823368 0.80 CYP2C9 (0.55) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1
SCHEMBL823513 0.80 ERCC1 (0.48) CYP2C9KCNH2SMN1; SMN2KCNE1CCR1

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 CYP2C9 70/4885KCNH2 2546/4885SMN1; SMN2 1064/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD CYP2C9 70/4885KCNH2 2546/4885SMN1; SMN2 1064/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD CYP2C9 70/4885KCNH2 2546/4885SMN1; SMN2 1064/4885

“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.