SCHEMBL826541

SCHEMBL826541

COC(=O)c1nc2c(C#N)c[nH]n2c(=O)c1O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 15/20 0.58
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP2C9 P11712 3/20 0.50
KDM5B Q9UGL1 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
FPR1 P21462 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL823320 0.82 SMN1; SMN2 (0.45) KDM5AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL823335 0.79 SMN1; SMN2 (0.43) KDM5AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL823321 0.77 KDM4E (0.52) KDM5AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL823311 0.70 ERCC1 (0.43) KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL823573 0.68 KDM4E (0.47) KDM4EALDH1A1HSD17B10SMN1; SMN2GAA
SCHEMBL12952654 0.62 ALDH1A1 (0.42) KDM4EALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL12638590 0.62 KDM4E (0.42) KDM4EALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL823465 0.62 ERCC1 (0.40) KDM4EALDH1A1HSD17B10SMN1; SMN2GAA
SCHEMBL27388836 0.62 KDM4E (0.38) KDM5AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL823343 0.62 RAB9A (0.55) KDM4EALDH1A1LMNAHSD17B10SMN1; SMN2

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 19 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
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
EP-2114903-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF Avexa Limited (AU) 2009-11-11 EP disclosed
WO-2008077188-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2008-07-03 WO 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 KDM5A 1055/4885KDM4E 2322/4885ALDH1A1 337/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD KDM5A 1055/4885KDM4E 2322/4885ALDH1A1 337/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD KDM5A 1055/4885KDM4E 2322/4885ALDH1A1 337/4885

“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.