SCHEMBL823388

SCHEMBL823388

Cc1cccc(-c2nnc(-c3nc4ccc(C)cn4c(=O)c3O)o2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
HPGD P15428 4/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 3/20 0.45
TP53 P04637 3/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.40
ATR Q13535 2/20 0.40
THRB P10828 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL823373 0.91 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL823380 0.82 NPC1 (0.53) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL823354 0.80 HPGD (0.46) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL823386 0.80 NR1H4 (0.49) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL823379 0.76 CREBBP (0.46) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL823357 0.73 GABRA1 (0.41) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL823359 0.73 NR1I3 (0.49) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL11674120 0.72 SMN1; SMN2 (0.89) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL13882293 0.71 SMN1; SMN2 (0.85) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL823417 0.70 GABRA1 (0.45) NPC1RAB9ASMN1; SMN2HPGDALDH1A1

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 22 patents — showing the first 20. 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-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-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
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
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
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 NPC1 742/4885RAB9A 2559/4885SMN1; SMN2 1064/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD NPC1 742/4885RAB9A 2559/4885SMN1; SMN2 1064/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD NPC1 742/4885RAB9A 2559/4885SMN1; SMN2 1064/4885

“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.