SCHEMBL386252

SCHEMBL386252

Cc1cc(-c2cc(-c3ccc(Br)cc3)[n+]([O-])cn2)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.36
HSD17B1 P14061 6/20 0.34
HSD17B2 P37059 6/20 0.34
CDC7 O00311 1/20 0.34
PIM1 P11309 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CLK1 P49759 1/20 0.34
GSK3B P49841 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
ESR2 Q92731 3/20 0.33
ESR1 P03372 2/20 0.33
HSD17B14 Q9BPX1 1/20 0.33
FGFR1 P11362 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
AR P10275 2/20 0.32

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
SCHEMBL383765 0.89 TP53 (0.40) TLR8HSD17B1HSD17B2CDC7PIM1
SCHEMBL385493 0.89 TLR8 (0.43) TLR8HSD17B1HSD17B2CDC7PIM1
SCHEMBL385491 0.88 TLR8 (0.36) TLR8HSD17B1HSD17B2CDC7PIM1
SCHEMBL386323 0.88 NPC1 (0.42) TLR8HSD17B1HSD17B2CDC7PIM1
SCHEMBL385779 0.87 TLR8 (0.45) TLR8HSD17B1HSD17B2CDC7PIM1
SCHEMBL385056 0.85 TLR8 (0.47) TLR8ESR1KDM4EALDH1A1
SCHEMBL386262 0.84 ESR1 (0.36) TLR8HSD17B1HSD17B2CDC7PIM1
SCHEMBL384944 0.80 TLR8 (0.38) TLR8HSD17B1HSD17B2CDC7PIM1
SCHEMBL386549 0.80 TLR8 (0.38) TLR8ESR2ESR1
SCHEMBL383387 0.78 TLR8 (0.44) TLR8HSD17B1HSD17B2ESR2

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 3200/4885HSD17B1 3103/4885HSD17B2 2802/4885

“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.