SCHEMBL826232

SCHEMBL826232

O=C(NCc1ccc(F)cc1)c1nc2ccc(Br)cn2c(=S)c1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ERCC1 P07992 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
CALCA P06881 1/20 0.40
LMNA P02545 1/20 0.39
KCNE1 P15382 1/20 0.39
CCR1 P32246 1/20 0.39
KCNQ1 P51787 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
SCHEMBL823326 0.89 SMN1; SMN2 (0.47) CYP3A4CYP2C9CYP2C19ERCC1FEN1
SCHEMBL823520 0.78 L3MBTL1 (0.48) SMN1; SMN2L3MBTL1HDAC1MAPTALDH1A1
SCHEMBL832548 0.78 CNR2 (0.45) CYP3A4CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL25421217 0.76 CLK1 (0.52) SMN1; SMN2L3MBTL1MAPTALDH1A1POLB
SCHEMBL823370 0.76 KCNE1 (0.49) CYP2C9ERCC1FEN1ERCC4SMN1; SMN2
SCHEMBL823513 0.76 ERCC1 (0.48) CYP3A4CYP2C9CYP2C19ERCC1FEN1
SCHEMBL823368 0.76 CYP2C9 (0.55) CYP3A4CYP2C9CYP2C19ERCC1FEN1
SCHEMBL12296324 0.74 CYP2C9 (0.61) CYP3A4CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL1876737 0.74 SMN1; SMN2 (0.53) ERCC1FEN1ERCC4SMN1; SMN2L3MBTL1
SCHEMBL826625 0.74 SMN1; SMN2 (0.45) CYP3A4CYP2C9CYP2C19ERCC1FEN1

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 CYP3A4 128/4885CYP2C9 70/4885CYP2C19 15/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD CYP3A4 128/4885CYP2C9 70/4885CYP2C19 15/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD CYP3A4 128/4885CYP2C9 70/4885CYP2C19 15/4885

“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.