SCHEMBL825803

SCHEMBL825803

Cc1ccc2nc(C(=N)NO)c(OCc3ccccc3)c(=O)n2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
ALOX5 P09917 2/20 0.40
HCRTR1 O43613 1/20 0.40
MAPT P10636 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
NR1H4 Q96RI1 6/20 0.39
CTDSP1 Q9GZU7 1/20 0.39

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
SCHEMBL823353 0.86 KDM4E (0.48) KDM4EALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL823352 0.85 KDM4E (0.54) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL823361 0.84 ALDH1A1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL12953167 0.83 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL823411 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL825804 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL1222214 0.81 MEN1 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL823408 0.79 RAB9A (0.44) KDM4EALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL12952702 0.79 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL823369 0.79 SMN1; SMN2 (0.46) KDM4EALDH1A1HPGDSMN1; SMN2MAPT

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 7 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

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 KDM4E 2322/4885ALDH1A1 337/4885HPGD 169/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD KDM4E 2322/4885ALDH1A1 337/4885HPGD 169/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD KDM4E 2322/4885ALDH1A1 337/4885HPGD 169/4885

“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.