SCHEMBL823585

SCHEMBL823585

O=C(NCc1ccc(Cl)c(Cl)c1)c1nc2ccc(NC(=O)C(F)(F)F)cn2c(=O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
WDR5 P61964 1/20 0.40
CNR1 P21554 7/20 0.39
CNR2 P34972 6/20 0.39
EPHX2 P34913 2/20 0.39
NR1H4 Q96RI1 2/20 0.39
AURKA O14965 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MARK3 P27448 1/20 0.38
MAPK1 P28482 1/20 0.38
AKT1 P31749 1/20 0.38
CSNK1D P48730 1/20 0.38

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 0.87 KCNE1 (0.46) MEN1ALDH1A1KMT2AHPGDEPHX2
SCHEMBL823362 0.84 CNR1 (0.45) MEN1ALDH1A1KMT2AHPGDCNR1
SCHEMBL823355 0.82 CNR1 (0.50) HPGDCNR1CNR2
SCHEMBL823532 0.81 CNR1 (0.42) MEN1ALDH1A1KMT2AHPGDCNR1
SCHEMBL823382 0.80 ERCC1 (0.45) MEN1KMT2ACNR1CNR2
SCHEMBL823339 0.79 WDR5 (0.47) WDR5CNR1CNR2
SCHEMBL823615 0.78 CNR1 (0.39) MEN1ALDH1A1KMT2ACNR1CNR2
SCHEMBL823490 0.75 CNR1 (0.47) MEN1ALDH1A1KMT2AHPGDCNR1
SCHEMBL823643 0.74 CALCA (0.46) CNR1CNR2MAOB
SCHEMBL823456 0.74 NR1I3 (0.52) MEN1ALDH1A1KMT2AHPGDCNR1

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 16 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-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
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 MEN1 1774/4885ALDH1A1 337/4885KMT2A 2241/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD MEN1 1774/4885ALDH1A1 337/4885KMT2A 2241/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD MEN1 1774/4885ALDH1A1 337/4885KMT2A 2241/4885

“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.