SCHEMBL826316

SCHEMBL826316

O=C(NCc1cccc(Cl)c1F)c1nc2ccc(N3CCOCC3)cn2c(=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
SLC2A1 P11166 1/20 0.41
MAPK8 P45983 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
P2RX7 Q99572 1/20 0.38
MYC P01106 1/20 0.38
WDR5 P61964 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 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
SCHEMBL823367 0.91 RXFP1 (0.50) RXFP1SLC2A1MAPK8PIK3CAPIK3CB
SCHEMBL823382 0.82 ERCC1 (0.45) SLC2A1CYP3A4CYP2C9CYP2C19EGLN1
SCHEMBL823395 0.82 CYP2C9 (0.51) CYP3A4CYP2C9CYP2C19EGLN1STAT6
SCHEMBL823378 0.82 SLC2A1 (0.52) RXFP1SLC2A1CYP3A4CYP2C9CYP2C19
SCHEMBL823396 0.82 L3MBTL1 (0.47) EGLN1JAK2JAK1TYK2
SCHEMBL823615 0.77 CNR1 (0.39)
SCHEMBL823331 0.76 THRB (0.51) CYP3A4CYP2C9CYP2C19EGLN1
SCHEMBL823574 0.76 SMN1; SMN2 (0.42) CYP3A4CYP2C9CYP2C19
SCHEMBL823339 0.74 WDR5 (0.47) CYP3A4CYP2C9CYP2C19WDR5
SCHEMBL12952918 0.74 SLC2A1 (0.46) SLC2A1PIK3CDPIK3CAPIK3CBPIK3CG

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 RXFP1 3746/4885SLC2A1 1705/4885MAPK8 1624/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD RXFP1 3746/4885SLC2A1 1705/4885MAPK8 1624/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD RXFP1 3746/4885SLC2A1 1705/4885MAPK8 1624/4885

“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.