SCHEMBL832548

SCHEMBL832548

CCCCOc1c(C(=O)NCc2ccc(F)cc2)nc2ccc(Br)cn2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.45
FAAH O00519 2/20 0.44
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 3/20 0.42
LIPG Q9Y5X9 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
RXFP1 Q9HBX9 2/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39
RCE1 Q9Y256 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
SCHEMBL823520 0.85 L3MBTL1 (0.48) CNR2TP53SMN1; SMN2HPGDKDM4E
SCHEMBL823326 0.82 SMN1; SMN2 (0.47) SMN1; SMN2HPGDLIPGKDM4EALDH1A1
SCHEMBL826232 0.78 CYP3A4 (0.43) SMN1; SMN2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL12894305 0.75 CYP3A4 (0.40) TP53SMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL823512 0.74 L3MBTL1 (0.48) CNR2TP53SMN1; SMN2HPGDKDM4E
SCHEMBL10070434 0.73 CNR2 (0.42) CNR2FAAHTP53SMN1; SMN2HPGD
SCHEMBL12296324 0.73 CYP2C9 (0.61) SMN1; SMN2LIPGKDM4ECYP3A4CYP2C9
SCHEMBL12188073 0.72 CYP3A4 (0.39) SMN1; SMN2HPGDKDM4EALDH1A1HSD17B10
SCHEMBL823370 0.72 KCNE1 (0.49) TP53SMN1; SMN2HPGDLIPGKDM4E
SCHEMBL12140641 0.71 POLB (0.38) CNR2FAAHTP53HPGDALDH1A1

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 9 patents. 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-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
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 CNR2 1516/4885FAAH 2599/4885TP53 2986/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD CNR2 1516/4885FAAH 2599/4885TP53 2986/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD CNR2 1516/4885FAAH 2599/4885TP53 2986/4885

“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.