SCHEMBL823372

SCHEMBL823372

O=c1c(O)c(-c2nnc(Cc3ccc(Cl)c(Cl)c3)s2)nc2ccc(N3CCOCC3)cn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.45
SLC2A1 P11166 5/20 0.42
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.37
STAT6 P42226 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3C2B O00750 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MCL1 Q07820 1/20 0.36
RAD51 Q06609 3/20 0.34
RAD1 O60671 1/20 0.34
BCL2A1 Q16548 1/20 0.34
CYP3A4 P08684 1/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL823423 0.88 SLC2A1 (0.40) SLC2A1PIK3CDPIK3CBHTTALDH1A1
SCHEMBL823424 0.86 SLC2A1 (0.42) SLC2A1PIK3CDPIK3CBHTTLMNA
SCHEMBL823394 0.83 NR1I3 (0.49) NR1I3HTTALDH1A1POLBMAPT
SCHEMBL823371 0.82 NR1I3 (0.45) NR1I3SLC2A1PIK3CDPIK3CBHTT
SCHEMBL1222145 0.80 SLC2A1 (0.43) NR1I3SLC2A1PIK3CDPIK3CBHTT
SCHEMBL823620 0.80 NR1I3 (0.45) NR1I3SLC2A1PIK3CDPIK3CBHTT
SCHEMBL1220959 0.78 SLC2A1 (0.50) SLC2A1PIK3CDPIK3CBHTTALDH1A1
SCHEMBL12880525 0.76 SLC2A1 (0.40) SLC2A1PIK3CDPIK3CBALDH1A1LMNA
SCHEMBL823382 0.74 ERCC1 (0.45) SLC2A1HTTLMNAKMT2AMEN1
SCHEMBL823399 0.74 LMNA (0.41) SLC2A1PIK3CDPIK3CBALDH1A1LMNA

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 38 patents — showing the first 20. 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-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
EP-2759544-A1 Compounds having antiviral properties Avexa Limited (AU) 2014-07-30 EP disclosed
EP-2759544-A1 Compounds having antiviral properties Avexa Limited (AU) 2014-07-30 EP disclosed
EP-2212324-B1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LTD (AU) 2014-03-26 EP disclosed
EP-2212324-B1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LTD (AU) 2014-03-26 EP disclosed
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 US disclosed
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 US disclosed
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 US disclosed
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2013-03-07 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
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 NR1I3 958/4885SLC2A1 1705/4885PIK3CD 1744/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD NR1I3 958/4885SLC2A1 1705/4885PIK3CD 1744/4885
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 NR1I3 1131/4885SLC2A1 751/4885PIK3CD 2091/4885

“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.