SCHEMBL385491

SCHEMBL385491

Cc1cc(-c2cc(-c3ccc(Br)cc3C)[n+]([O-])cn2)ccc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.36
PIM1 P11309 2/20 0.34
CDC7 O00311 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
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B1 P14061 3/20 0.32
HSD17B2 P37059 3/20 0.32
IDO1 P14902 1/20 0.32
BIRC5 O15392 1/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 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
SCHEMBL386252 0.88 TLR8 (0.36) TLR8PIM1CDC7CSNK2A2CLK1
SCHEMBL386323 0.83 NPC1 (0.42) TLR8PIM1CDC7CSNK2A2CLK1
SCHEMBL385493 0.80 TLR8 (0.43) TLR8PIM1CDC7CSNK2A2CLK1
SCHEMBL383765 0.80 TP53 (0.40) TLR8PIM1CDC7CSNK2A2CLK1
SCHEMBL385006 0.79 TLR8 (0.47) TLR8NPC1HSP90AA1ALOX15RAB9A
SCHEMBL386324 0.79 PIM1 (0.53) TLR8PIM1CDC7CSNK2A2CLK1
SCHEMBL385779 0.78 TLR8 (0.45) TLR8PIM1CDC7CSNK2A2CLK1
SCHEMBL385119 0.77 IDO1 (0.41) TLR8PIM1CDC7CSNK2A2CLK1
SCHEMBL384944 0.76 TLR8 (0.38) TLR8PIM1CDC7CSNK2A2CLK1
SCHEMBL385056 0.76 TLR8 (0.47) TLR8NPC1ALOX15RAB9AIDO1

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 3200/4885PIM1 429/4885CDC7 536/4885

“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.