SCHEMBL823616

SCHEMBL823616

O=c1c(OCc2ccccc2)c(-c2nc(Cc3ccc(F)cc3)no2)nc2ccc(N3CCOCC3)cn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.38
ALDH1A1 P00352 5/20 0.37
USP2 O75604 4/20 0.37
CYP1A2 P05177 4/20 0.37
HSD17B10 Q99714 4/20 0.37
CASP1 P29466 3/20 0.37
CASP7 P55210 3/20 0.37
HIF1A Q16665 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
DGAT1 O75907 2/20 0.36
GLA P06280 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.35
CSNK1D P48730 2/20 0.35
CSNK1E P49674 2/20 0.35

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
SCHEMBL10101646 0.88 ENPP2 (0.37) SLC2A1ALDH1A1USP2CYP1A2HSD17B10
SCHEMBL1222231 0.86 ALDH1A1 (0.39) SLC2A1ALDH1A1USP2CYP1A2HSD17B10
SCHEMBL1222193 0.86 SLC2A1 (0.38) SLC2A1ALDH1A1USP2CYP1A2HSD17B10
SCHEMBL823506 0.84 SLC2A1 (0.40) SLC2A1ALDH1A1USP2CYP1A2HSD17B10
SCHEMBL1669189 0.83 ALDH1A1 (0.40) ALDH1A1USP2CYP1A2HSD17B10CASP1
SCHEMBL1222078 0.82 USP2 (0.39) SLC2A1ALDH1A1USP2CYP1A2HSD17B10
Trifluoroacetic Acid SCHEMBL1222184 0.78 L3MBTL1 (0.38) SLC2A1ALDH1A1USP2CYP1A2HSD17B10
SCHEMBL1221899 0.76 ALDH1A1 (0.41) SLC2A1ALDH1A1USP2CYP1A2HSD17B10
SCHEMBL1222025 0.76 TSHR (0.40) SLC2A1MEN1KMT2ATSHRMAPK1
SCHEMBL12166739 0.76 CSNK1D (0.40) ALDH1A1USP2CYP1A2HSD17B10CASP1

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 4 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

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 SLC2A1 1705/4885ALDH1A1 337/4885USP2 4813/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD SLC2A1 1705/4885ALDH1A1 337/4885USP2 4813/4885

“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.