SCHEMBL384935

SCHEMBL384935

[O-][n+]1cnc(-c2ccc(O)c(Cl)c2)cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.51
ADORA2A P29274 4/20 0.45
ADORA1 P30542 3/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
PTGS2 P35354 1/20 0.37
DUSP3 P51452 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
RIPK1 Q13546 1/20 0.36
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
ESR1 P03372 2/20 0.35
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
ALOX15 P16050 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
SCHEMBL385296 0.81 KDM4E (0.51) ADORA2AADORA1KDM4EALDH1A1CTDSP1
SCHEMBL29030628 0.81 ALDH1A1 (0.61) ADORA2AADORA1KDM4EALDH1A1CTDSP1
SCHEMBL30566980 0.81 ALDH1A1 (0.61) ADORA2AADORA1KDM4EALDH1A1CTDSP1
SCHEMBL385488 0.81 KDM4E (0.43) ESR2KDM4EALDH1A1CTDSP1HSD17B1
SCHEMBL386389 0.81 FYN (0.53) KDM4EALDH1A1CTDSP1MAPTHPGD
SCHEMBL383734 0.80 HSD17B1 (0.49) ADORA1KDM4EALDH1A1CTDSP1HSD17B1
SCHEMBL385779 0.77 TLR8 (0.45) ESR2HSD17B1HSD17B2ESR1MEN1
SCHEMBL386324 0.76 PIM1 (0.53) ESR2ALDH1A1HSD17B1HSD17B2ESR1
SCHEMBL386268 0.76 KDM4E (0.51) ADORA2AADORA1KDM4EALDH1A1CTDSP1
SCHEMBL384920 0.75 KDM4E (0.43) KDM4EALDH1A1CTDSP1MEN1LMNA

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 ESR2 1089/4885ADORA2A 2443/4885ADORA1 2455/4885

“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.