SCHEMBL823396

SCHEMBL823396

O=C(NCc1ccccc1)c1nc2ccc(N3CCOCC3)cn2c(=O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
CASP3 P42574 1/20 0.46
HDAC1 Q13547 1/20 0.45
NAPEPLD Q6IQ20 1/20 0.45
ALDH1A1 P00352 3/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
AURKA O14965 1/20 0.44
EGLN1 Q9GZT9 2/20 0.44
GRIA1 P42261 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GFER P55789 1/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
HSD17B10 Q99714 2/20 0.43

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 0.90 CYP2C9 (0.51) CASP3ALDH1A1EGLN1SMN1; SMN2HTT
SCHEMBL823378 0.90 SLC2A1 (0.52) CASP3ALDH1A1EGLN1SMN1; SMN2KDM4E
SCHEMBL823331 0.88 THRB (0.51) ALDH1A1EGLN1SMN1; SMN2HTTKDM4E
SCHEMBL823382 0.87 ERCC1 (0.45) EGLN1HTTCNR2MAPT
SCHEMBL823367 0.87 RXFP1 (0.50) ALDH1A1EGLN1SMN1; SMN2KDM4E
SCHEMBL826316 0.82 RXFP1 (0.42) JAK2JAK1TYK2EGLN1
SCHEMBL825937 0.80 CYP2C9 (0.51) HDAC1ALDH1A1SMN1; SMN2
SCHEMBL1880482 0.80 TP53 (0.46) ALDH1A1GRIA1SMN1; SMN2KDM4EHPGD
SCHEMBL12952918 0.80 SLC2A1 (0.46) L3MBTL1ALDH1A1JAK2JAK1TYK2
SCHEMBL823327 0.79 MAPT (0.48) L3MBTL1ALDH1A1SMN1; SMN2KDM4EALOX15

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-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
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 L3MBTL1 4479/4885CASP3 1862/4885HDAC1 455/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD L3MBTL1 4479/4885CASP3 1862/4885HDAC1 455/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD L3MBTL1 4479/4885CASP3 1862/4885HDAC1 455/4885

“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.