SCHEMBL823304

SCHEMBL823304

COC(=O)c1nc2ccc(C)cn2c(=O)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.68
ALDH1A1 P00352 7/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
RAB9A P51151 2/20 0.68
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 2/20 0.46
HPGD P15428 3/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.42
HCRTR1 O43613 1/20 0.42
NPC1 O15118 1/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
MAPK1 P28482 1/20 0.41
THRB P10828 1/20 0.41
RNASEH1 O60930 1/20 0.40
ERCC1 P07992 1/20 0.40
FEN1 P39748 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
SCHEMBL13696591 0.89 KDM4E (0.68) KDM4EALDH1A1SMN1; SMN2RAB9AGLA
SCHEMBL823575 0.84 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2RAB9AGLA
SCHEMBL823330 0.84 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL823319 0.84 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL12952728 0.84 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2RAB9AGLA
SCHEMBL9923995 0.84 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2RAB9AGLA
SCHEMBL823323 0.80 ALDH1A1 (0.66) KDM4EALDH1A1SMN1; SMN2RAB9AGLA
SCHEMBL823447 0.79 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2RAB9AGLA
SCHEMBL823325 0.78 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL823594 0.78 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2RAB9AGLA

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 27 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
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
US-20090221571-A1 HIV INTEGRASE INHIBITORS MSD ITALIA S.R.L. (IT) 2009-09-03 US disclosed
WO-2008077188-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2008-07-03 WO disclosed
EP-1937678-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-02 EP disclosed
WO-2007039218-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2007-04-12 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 (4 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 KDM4E 2322/4885ALDH1A1 337/4885SMN1; SMN2 1064/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD KDM4E 2322/4885ALDH1A1 337/4885SMN1; SMN2 1064/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD KDM4E 2322/4885ALDH1A1 337/4885SMN1; SMN2 1064/4885
US-20090221571-A1 HIV INTEGRASE INHIBITORS TYMP, CDK2, TYMS KDM4E 740/4885ALDH1A1 1847/4885SMN1; SMN2 3573/4885

“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.