SCHEMBL825685

SCHEMBL825685

O=c1c(O)c(-c2nnc(Cc3ccc(F)cc3)o2)nc2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 4/20 0.43
TP53 P04637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.41
APLNR P35414 2/20 0.40
ENPP2 Q13822 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 3/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
HTR2C P28335 1/20 0.38
THPO P40225 1/20 0.38

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
SCHEMBL823357 0.84 GABRA1 (0.41) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL1220967 0.79 SLC2A1 (0.44) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL823391 0.79 TP53 (0.43) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL12266074 0.75 NPC1 (0.46) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL13218214 0.74 TP53 (0.42) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL13218198 0.73 NPC1 (0.45) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL753812 0.73 NPC1 (0.46) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL823364 0.72 NR1H4 (0.44) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL13218363 0.72 APLNR (0.48) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL13218136 0.71 KCNE1 (0.50) RAB9ANPC1SMN1; SMN2HPGDTP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 NR1I3 958/4885RAB9A 2559/4885NPC1 742/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD NR1I3 958/4885RAB9A 2559/4885NPC1 742/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD NR1I3 958/4885RAB9A 2559/4885NPC1 742/4885

“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.