SCHEMBL846337

SCHEMBL846337

O=C(NCc1ccccc1)c1nc2ccccn2c(=O)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
METTL3 Q86U44 3/20 0.51
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
ALDH1A1 P00352 5/20 0.49
PKM P14618 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 3/20 0.49
GLA P06280 2/20 0.49
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47

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
SCHEMBL1876737 0.91 SMN1; SMN2 (0.53) METTL3ALDH1A1PKMPOLBKDM4E
SCHEMBL846502 0.81 NLRP3 (0.55) TP53ALDH1A1PKMPOLBKDM4E
SCHEMBL845660 0.80 CD38 (0.47) ALDH1A1PKMPOLBGAANPC1
SCHEMBL823396 0.78 L3MBTL1 (0.47) CNR2ALDH1A1KDM4ESMN1; SMN2GLA
SCHEMBL825951 0.78 SMN1; SMN2 (0.52) METTL3CNR2ALDH1A1PKMPOLB
SCHEMBL24784372 0.78 NPC1 (0.49) TP53METTL3CNR1CNR2GPR55
SCHEMBL1684145 0.76 PTGS1 (0.53) ALDH1A1KDM4ESMN1; SMN2GAAGLA
SCHEMBL12638575 0.76 KMT2A (0.53) ALDH1A1KDM4ESMN1; SMN2GAAGLA
SCHEMBL12294853 0.75 SMN1; SMN2 (0.60) METTL3ALDH1A1PKMPOLBKDM4E
SCHEMBL6017840 0.75 ALDH1A1 (0.55) ALDH1A1PKMPOLBHTTNPC1

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 TP53 2986/4885METTL3 1550/4885CNR1 1068/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD TP53 2986/4885METTL3 1550/4885CNR1 1068/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD TP53 2986/4885METTL3 1550/4885CNR1 1068/4885

“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.