SCHEMBL823575

SCHEMBL823575

COC(=O)c1nc2ccc(I)cn2c(=O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.49
ERCC1 P07992 2/20 0.42
FEN1 P39748 2/20 0.42
ERCC4 Q92889 2/20 0.42
HSD17B10 Q99714 3/20 0.39
RNASEH1 O60930 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
TP53 P04637 1/20 0.36
ALPG P10696 1/20 0.36
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35

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
SCHEMBL12956550 0.86 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2RAB9AERCC1
SCHEMBL823304 0.84 KDM4E (0.68) KDM4EALDH1A1SMN1; SMN2RAB9AERCC1
SCHEMBL823330 0.83 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2RAB9AERCC1
SCHEMBL823319 0.83 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2RAB9AERCC1
SCHEMBL12952728 0.83 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2RAB9AERCC1
SCHEMBL823598 0.80 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2RAB9AERCC1
SCHEMBL823323 0.79 ALDH1A1 (0.66) KDM4EALDH1A1SMN1; SMN2RAB9AERCC1
SCHEMBL823594 0.77 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2RAB9AERCC1
SCHEMBL823325 0.77 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2RAB9AERCC1
SCHEMBL12952738 0.76 ERCC1 (0.36) KDM4EALDH1A1SMN1; SMN2RAB9AERCC1

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 15 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-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
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
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 KDM4E 2322/4885ALDH1A1 337/4885SMN1; SMN2 1064/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD KDM4E 2322/4885ALDH1A1 337/4885SMN1; SMN2 1064/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD KDM4E 2322/4885ALDH1A1 337/4885SMN1; SMN2 1064/4885

“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.