SCHEMBL823564

SCHEMBL823564

O=[N+]([O-])c1ncc(F)cc1I

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSPB1 P04792 2/20 0.32
ALOX12 P18054 1/20 0.32
S1PR4 O95977 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RIPK1 Q13546 1/20 0.30

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
SCHEMBL3024826 0.80 ATM (0.44) MEN1KMT2AMAPTATMTDP1
SCHEMBL27961243 0.77 S1PR4 (0.43) LMNAHTTMAPTATMTDP1
SCHEMBL27848440 0.77 MAPT (0.34) MEN1KMT2AHTTMAPTATM
SCHEMBL2383985 0.77 MAPT (0.34) MEN1KMT2AMAPTATMTDP1
SCHEMBL3770753 0.77 MAPT (0.45) MEN1KMT2ALMNAHTTMAPT
SCHEMBL28874590 0.77 PDE7A (0.37) MEN1KMT2ALMNAHTTMAPT
SCHEMBL5582938 0.77 MAPK1 (0.36) MEN1KMT2ALMNAHTTMAPT
SCHEMBL15685166 0.74 MAPT (0.33) MEN1KMT2AMAPTATMTDP1
SCHEMBL30438006 0.73 ALDH1A1 (0.40) MEN1KMT2ALMNAHTTMAPT
SCHEMBL25594817 0.73 ALDH1A1 (0.40) MEN1KMT2ALMNAHTTMAPT

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 15 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
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
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 MEN1 1774/4885KMT2A 2241/4885LMNA 2777/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD MEN1 1774/4885KMT2A 2241/4885LMNA 2777/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD MEN1 1774/4885KMT2A 2241/4885LMNA 2777/4885

“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.