SCHEMBL845660

SCHEMBL845660

O=C(NCc1ccccc1)c1nc2[nH]ccn2c(=O)c1O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
GAA P10253 1/20 0.46
EGLN1 Q9GZT9 2/20 0.44
PIN1 Q13526 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL846337 0.80 TP53 (0.52) ALDH1A1POLBPKMGAAEGLN1
SCHEMBL846502 0.79 NLRP3 (0.55) ALDH1A1POLBPKMEGLN1MEN1
SCHEMBL845739 0.75 ADORA3 (0.51) ALDH1A1POLBPKMGAAPIN1
SCHEMBL6017840 0.72 ALDH1A1 (0.55) ALDH1A1POLBPKMPIN1MEN1
SCHEMBL823465 0.72 ERCC1 (0.40) ALDH1A1GAARAB9AHSD17B10
SCHEMBL13933376 0.71 ALDH1A1 (0.50) CD38ALDH1A1POLBPKMGAA
SCHEMBL846352 0.71 ALDH1A1 (0.51) ALDH1A1POLBPKMGAAEGLN1
SCHEMBL1876737 0.71 SMN1; SMN2 (0.53) ALDH1A1POLBPKMMEN1KMT2A
SCHEMBL14260085 0.70 KMT2A (0.53) ALDH1A1POLBPKMMEN1KMT2A
SCHEMBL1875165 0.69 LMNA (0.55) ALDH1A1

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 8 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-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
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
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

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 CD38 1138/4885ALDH1A1 337/4885POLB 679/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD CD38 1138/4885ALDH1A1 337/4885POLB 679/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD CD38 1138/4885ALDH1A1 337/4885POLB 679/4885

“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.