SCHEMBL383387

SCHEMBL383387

COc1cccc(-c2cc(-c3ccc(O)c(C)c3)nc[n+]2[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.44
FYN P06241 4/20 0.43
HDAC4 P56524 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CLK4 Q9HAZ1 2/20 0.38
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
DYRK1A Q13627 1/20 0.38
TGFBR1 P36897 1/20 0.38
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 1/20 0.37
ESR2 Q92731 1/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
COMT P21964 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL385225 0.88 CHEK1 (0.40) TLR8FYNHSD17B1HSD17B2ESR2
SCHEMBL385056 0.88 TLR8 (0.47) TLR8FYNDYRK1AMAPK1MEN1
SCHEMBL386323 0.84 NPC1 (0.42) TLR8HSD17B1HSD17B2HSP90AA1ESR2
SCHEMBL385139 0.84 KDM4E (0.40) ESR2TSHR
SCHEMBL385006 0.81 TLR8 (0.47) TLR8FYNHSP90AA1TSHRMAPK1
SCHEMBL383765 0.80 TP53 (0.40) TLR8FYNHSD17B1HSD17B2ESR2
SCHEMBL385493 0.80 TLR8 (0.43) TLR8HSD17B1HSD17B2ESR2CYP3A4
SCHEMBL384932 0.80 ACHE (0.50) TSHRMEN1NPC1TP53RAB9A
SCHEMBL385119 0.80 IDO1 (0.41) TLR8FYNMAPK1MEN1NPC1
SCHEMBL386549 0.79 TLR8 (0.38) TLR8FYNESR2

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-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
EP-1948617-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP disclosed
WO-2007048065-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 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 (1 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-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK1A1, CSNK2A2 TLR8 3200/4885FYN 486/4885HDAC4 2249/4885

“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.