SCHEMBL825951

SCHEMBL825951

O=C(NCc1ccc(F)cc1)c1nc2ccccn2c(=O)c1S

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 7/20 0.49
HPGD P15428 5/20 0.49
HSD17B10 Q99714 4/20 0.49
CASP1 P29466 3/20 0.49
CASP7 P55210 3/20 0.49
TSHR P16473 3/20 0.49
RECQL P46063 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
ESR1 P03372 1/20 0.49
MCL1 Q07820 1/20 0.49
MAPT P10636 1/20 0.49
RUNX1 Q01196 1/20 0.49
CBFB Q13951 1/20 0.49
METTL3 Q86U44 2/20 0.48
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
HTT P42858 2/20 0.47

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
SCHEMBL1876737 0.88 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL846337 0.78 TP53 (0.52) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL12294919 0.76 KDM4E (0.76) SMN1; SMN2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL13578097 0.74 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL1011897 0.72 KDM4E (0.44) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL823326 0.71 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL823513 0.71 ERCC1 (0.48) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL823368 0.71 CYP2C9 (0.55) SMN1; SMN2HSD17B10POLBRAB9A
SCHEMBL823370 0.71 KCNE1 (0.49) SMN1; SMN2ALDH1A1KDM4EHPGDLMNA
SCHEMBL13578102 0.70 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDM4EHPGDTSHR

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
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

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 SMN1; SMN2 1064/4885ALDH1A1 337/4885KDM4E 2322/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD SMN1; SMN2 1064/4885ALDH1A1 337/4885KDM4E 2322/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD SMN1; SMN2 1064/4885ALDH1A1 337/4885KDM4E 2322/4885

“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.