SCHEMBL823401

SCHEMBL823401

Cc1ccc2nc(/C(N)=N/OC(=O)Cc3ccc(F)cc3)c(OCc3ccccc3)c(=O)n2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
L3MBTL1 Q9Y468 5/20 0.45
POLB P06746 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL1221727 0.84 HTT (0.38) RAB9ANPC1POLBRECQLSMN1; SMN2
SCHEMBL12880779 0.84 HTT (0.38) RAB9ANPC1POLBRECQLSMN1; SMN2
SCHEMBL823358 0.83 POLB (0.44) RAB9APOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL823411 0.83 KDM4E (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1NR1H4
SCHEMBL825804 0.83 KDM4E (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1NR1H4
SCHEMBL823353 0.79 KDM4E (0.48) RAB9ANPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL12953167 0.79 KDM4E (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1NR1H4
SCHEMBL823361 0.78 ALDH1A1 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL823352 0.77 KDM4E (0.54) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL825803 0.73 KDM4E (0.44) RAB9ASMN1; SMN2ALDH1A1NR1H4MAPT

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 RAB9A 2559/4885NPC1 742/4885L3MBTL1 4479/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD RAB9A 2559/4885NPC1 742/4885L3MBTL1 4479/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD RAB9A 2559/4885NPC1 742/4885L3MBTL1 4479/4885

“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.