SCHEMBL846352

SCHEMBL846352

O=C(NCc1ccccc1)c1nc2c3ccccc3[nH]n2c(=O)c1O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ADORA3 P0DMS8 1/20 0.44
ADORA1 P30542 1/20 0.44
CALCA P06881 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
EGLN1 Q9GZT9 2/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PIN1 Q13526 1/20 0.42
ROCK2 O75116 1/20 0.42
PIM1 P11309 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
SCHEMBL823561 0.91 SMN1; SMN2 (0.54) ALDH1A1POLBPKMMEN1KMT2A
SCHEMBL823573 0.79 KDM4E (0.47) ALDH1A1POLBMEN1KMT2AADORA3
SCHEMBL846164 0.75 ALDH1A1 (0.48) ALDH1A1POLBPKMMEN1KMT2A
SCHEMBL845739 0.74 ADORA3 (0.51) ALDH1A1POLBPKMMEN1KMT2A
SCHEMBL823503 0.72 TP53 (0.45) ALDH1A1KMT2ACALCAKDM4EEGLN1
SCHEMBL6017840 0.71 ALDH1A1 (0.55) ALDH1A1POLBPKMMEN1KMT2A
SCHEMBL846337 0.71 TP53 (0.52) ALDH1A1POLBPKMADORA3ADORA1
SCHEMBL845660 0.71 CD38 (0.47) ALDH1A1POLBPKMMEN1KMT2A
SCHEMBL846502 0.71 NLRP3 (0.55) ALDH1A1POLBPKMMEN1KMT2A
SCHEMBL13933376 0.70 ALDH1A1 (0.50) ALDH1A1POLBPKMKMT2ACALCA

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 ALDH1A1 337/4885POLB 679/4885PKM 424/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD ALDH1A1 337/4885POLB 679/4885PKM 424/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD ALDH1A1 337/4885POLB 679/4885PKM 424/4885

“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.