SCHEMBL826035

SCHEMBL826035

O=C(NCc1ccc(F)cc1)c1nc2cccc(N3CCOCC3)n2c(=O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
KCNH2 Q12809 1/20 0.45
PSMD14 O00487 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CTNNB1 P35222 1/20 0.42
TCF7L2 Q9NQB0 1/20 0.42
CALCA P06881 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
RECQL P46063 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KCNE1 P15382 1/20 0.42
CCR1 P32246 1/20 0.42
KCNQ1 P51787 1/20 0.42
ERCC1 P07992 1/20 0.42

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
SCHEMBL823395 0.81 CYP2C9 (0.51) TP53KCNH2PSMD14CYP2C9KMT2A
SCHEMBL4555868 0.80 SMN1; SMN2 (0.48) KCNH2CYP2C9KMT2ASMN1; SMN2CALCA
SCHEMBL6093745 0.79 KCNE1 (0.52) TP53KCNH2PSMD14CYP2C9KMT2A
SCHEMBL823349 0.79 PSMD14 (0.48) TP53KCNH2PSMD14CYP2C9KMT2A
SCHEMBL2208982 0.78 MAPT (0.50) TP53KCNH2CYP2C9KMT2ASMN1; SMN2
SCHEMBL823392 0.77 TP53 (0.48) TP53KCNH2PSMD14CYP2C9KMT2A
SCHEMBL1880482 0.77 TP53 (0.46) TP53KCNH2PSMD14CYP2C9KMT2A
SCHEMBL13917324 0.77 KCNH2 (0.51) TP53KCNH2CYP2C9KMT2ASMN1; SMN2
SCHEMBL823503 0.76 TP53 (0.45) TP53KCNH2PSMD14CYP2C9KMT2A
SCHEMBL823514 0.76 TP53 (0.45) TP53KCNH2PSMD14CYP2C9KMT2A

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 TP53 2986/4885KCNH2 2546/4885PSMD14 4564/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD TP53 2986/4885KCNH2 2546/4885PSMD14 4564/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD TP53 2986/4885KCNH2 2546/4885PSMD14 4564/4885

“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.