SCHEMBL823482

SCHEMBL823482

CC(C)(C)OC(=O)N1CCN(CCn2c3ccccc3n3c(=O)c(O)c(C(=O)NCc4ccc(Cl)c(Cl)c4)nc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
PLK1 P53350 1/20 0.40
ACKR3 P25106 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
VEGFA P15692 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
KDM1A O60341 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL823413 0.90 ENPP2 (0.42) NPSR1MEN1CYP2C19KMT2ACNR1
SCHEMBL823432 0.89 CNR1 (0.41) NPSR1MEN1CYP2C19KMT2ACNR1
SCHEMBL823448 0.88 CNR1 (0.39) SMN1; SMN2HTTNPSR1MEN1CYP2C19
SCHEMBL826583 0.87 PLK1 (0.39) TP53PLK1ACKR3SMN1; SMN2HTT
SCHEMBL823468 0.87 OPRK1 (0.46) SMN1; SMN2NPSR1MEN1CYP2C19KMT2A
SCHEMBL823474 0.86 KMT2A (0.48) TP53SMN1; SMN2HTTNPSR1HDAC1
SCHEMBL823489 0.86 KMT2A (0.47) TP53HTTNPSR1MEN1CYP2C19
SCHEMBL823485 0.85 ENPP2 (0.41) NPSR1MEN1CYP2C19KMT2ACNR1
SCHEMBL823440 0.85 OPRM1 (0.41) NPSR1CHRM3MEN1CYP2C19KMT2A
SCHEMBL823416 0.82 CNR1 (0.43) SMN1; SMN2HTTNPSR1MEN1KMT2A

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 24 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
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-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-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
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
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 TP53 2986/4885PLK1 1409/4885ACKR3 431/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD TP53 2986/4885PLK1 1409/4885ACKR3 431/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD TP53 2986/4885PLK1 1409/4885ACKR3 431/4885

“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.