SCHEMBL823561

SCHEMBL823561

O=C(NCc1ccc(F)cc1)c1nc2c3ccccc3[nH]n2c(=O)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
ERCC1 P07992 1/20 0.48
FEN1 P39748 1/20 0.48
ERCC4 Q92889 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CALCA P06881 1/20 0.46
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KCNE1 P15382 1/20 0.43
CCR1 P32246 1/20 0.43
KCNQ1 P51787 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
KCNH2 Q12809 1/20 0.43
CYP2C9 P11712 1/20 0.43
PTGER4 P35408 1/20 0.42

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
SCHEMBL846352 0.91 ALDH1A1 (0.51) SMN1; SMN2MEN1KMT2ACALCAHSD17B10
SCHEMBL823503 0.80 TP53 (0.45) SMN1; SMN2ERCC1FEN1ERCC4KMT2A
SCHEMBL12952647 0.78 MEN1 (0.53) SMN1; SMN2ERCC1FEN1ERCC4MEN1
SCHEMBL823497 0.77 SMN1; SMN2 (0.52) SMN1; SMN2ERCC1FEN1ERCC4MEN1
SCHEMBL823351 0.77 TP53 (0.48) SMN1; SMN2ERCC1FEN1ERCC4MEN1
SCHEMBL823586 0.76 MEN1 (0.57) SMN1; SMN2ERCC1FEN1ERCC4MEN1
SCHEMBL823346 0.76 MEN1 (0.49) SMN1; SMN2ERCC1FEN1ERCC4MEN1
SCHEMBL823338 0.76 MEN1 (0.51) SMN1; SMN2ERCC1FEN1ERCC4MEN1
SCHEMBL825990 0.76 KDM5A (0.55) SMN1; SMN2ERCC1FEN1ERCC4MEN1
SCHEMBL823573 0.75 KDM4E (0.47) SMN1; SMN2ERCC1FEN1ERCC4MEN1

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
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
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 SMN1; SMN2 1064/4885ERCC1 3335/4885FEN1 976/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD SMN1; SMN2 1064/4885ERCC1 3335/4885FEN1 976/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD SMN1; SMN2 1064/4885ERCC1 3335/4885FEN1 976/4885

“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.