SCHEMBL384932

SCHEMBL384932

Cc1cc(-c2cc(-c3cccc(OCCN4CCOCC4)c3)[n+]([O-])cn2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 3/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
SRC P12931 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RET P07949 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRKAB2 O43741 1/20 0.41

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 0.83 CHEK1 (0.40)
SCHEMBL385139 0.81 KDM4E (0.40) KDM4ETSHRADORA2AADORA1SRC
SCHEMBL383387 0.80 TLR8 (0.44) NPC1RAB9ATP53TSHRMEN1
SCHEMBL386261 0.78 PIM1 (0.55) ACHENPC1KDM4ETP53TSHR
SCHEMBL386323 0.74 NPC1 (0.42) NPC1RAB9AKDM4ETP53TSHR
SCHEMBL386549 0.73 TLR8 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28893423 0.72 NPC1 (0.57) ACHENPC1RAB9AKDM4ETP53
SCHEMBL385056 0.71 TLR8 (0.47) NPC1RAB9AKDM4ETP53MEN1
SCHEMBL383765 0.71 TP53 (0.40) KDM4ETP53ALDH1A1
SCHEMBL385493 0.71 TLR8 (0.43) KDM4EALDH1A1

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 ACHE 2723/4885NPC1 4365/4885RAB9A 3959/4885

“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.