SCHEMBL823598

SCHEMBL823598

COC(=O)c1nc2ccc(I)cn2c(=O)c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 3/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
TP53 P04637 1/20 0.33
ALPG P10696 1/20 0.33
RXFP1 Q9HBX9 1/20 0.31
ERCC1 P07992 2/20 0.31
FEN1 P39748 2/20 0.31
ERCC4 Q92889 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL823447 0.88 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2RAB9AHSD17B10
SCHEMBL823454 0.85 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2RAB9AHSD17B10
SCHEMBL12956550 0.85 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2RAB9AHSD17B10
SCHEMBL823575 0.80 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2RAB9AHSD17B10
SCHEMBL823445 0.78 SMN1; SMN2 (0.41) SMN1; SMN2CDK7
SCHEMBL823588 0.78 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2RAB9AHSD17B10
SCHEMBL823577 0.75 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2RAB9AHSD17B10
SCHEMBL12638599 0.72 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2RAB9AHSD17B10
SCHEMBL1879530 0.72 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2RAB9AHSD17B10
SCHEMBL14173486 0.70 ADORA2A (0.41) KDM4EALDH1A1SMN1; SMN2RAB9AHSD17B10

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 14 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

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.