SCHEMBL10101646

SCHEMBL10101646

CCCCOc1c(-c2nc(Cc3ccc(F)cc3)no2)nc2ccc(N3CCOCC3)cn2c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.37
SLC2A1 P11166 1/20 0.36
PLA2G2A P14555 4/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 4/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.34
USP2 O75604 3/20 0.34
CASP1 P29466 3/20 0.34
CASP7 P55210 3/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CSNK1D P48730 2/20 0.34
CSNK1E P49674 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL823616 0.88 SLC2A1 (0.38) SLC2A1CYP2C9CYP2C19CYP1A2MEN1
SCHEMBL12894135 0.86 ENPP2 (0.37) ENPP2SLC2A1PLA2G2ACYP3A4CYP2C9
SCHEMBL823506 0.84 SLC2A1 (0.40) ENPP2SLC2A1CYP3A4CYP2C9CYP2C19
SCHEMBL12225285 0.83 ALDH1A1 (0.36) CYP3A4CYP2C9CYP2C19CYP1A2MEN1
SCHEMBL12188073 0.76 CYP3A4 (0.39) ENPP2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL12894054 0.76 SLC2A1 (0.38) ENPP2SLC2A1PLA2G2AKMT2AALDH1A1
SCHEMBL12894117 0.75 ALDH1A1 (0.44) SLC2A1CYP3A4CYP2C9CYP1A2MEN1
SCHEMBL12894053 0.75 SLC2A1 (0.39) ENPP2SLC2A1MEN1KMT2ASMN1; SMN2
SCHEMBL12894116 0.75 SLC2A1 (0.45) SLC2A1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL12225688 0.75 ADORA2B (0.37) PLA2G2AALDH1A1PLATMAPTAPLNR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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 ENPP2 2601/4885SLC2A1 1705/4885PLA2G2A 4642/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD ENPP2 2601/4885SLC2A1 1705/4885PLA2G2A 4642/4885

“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.