SCHEMBL826802

SCHEMBL826802

N#Cc1c[nH]n2c(=O)c(O)c(C(=O)NCc3ccc(Cl)c(Cl)c3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 5/20 0.52
KDM4E B2RXH2 7/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
CNR1 P21554 3/20 0.44
CNR2 P34972 3/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 3/20 0.42
BCAT2 O15382 1/20 0.41
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
FPR1 P21462 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM5B Q9UGL1 2/20 0.40
KDM5C P41229 1/20 0.40

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
SCHEMBL823389 0.85 MEN1 (0.44) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL825990 0.85 KDM5A (0.55) KDM5AKDM4EMEN1KMT2AMAPT
SCHEMBL823337 0.83 MEN1 (0.42) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL823360 0.82 HSD17B10 (0.45) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL826541 0.73 KDM5A (0.58) KDM5AKDM4EHSD17B10ALDH1A1CYP2C9
SCHEMBL823344 0.72 NPC1 (0.43) KDM4EMEN1KMT2AMAPTHPGD
SCHEMBL823557 0.71 MEN1 (0.44) MEN1KMT2AHPGDCNR1CNR2
SCHEMBL823456 0.71 NR1I3 (0.52) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL823362 0.71 CNR1 (0.45) MEN1KMT2AHPGDTSHRCNR1
SCHEMBL5647057 0.71 CNR1 (0.42) MEN1KMT2AHPGDTSHRCNR1

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-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
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 KDM5A 1055/4885KDM4E 2322/4885MEN1 1774/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD KDM5A 1055/4885KDM4E 2322/4885MEN1 1774/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD KDM5A 1055/4885KDM4E 2322/4885MEN1 1774/4885

“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.