SCHEMBL385139

SCHEMBL385139

CCN(CC)CCOc1cccc(-c2cc(-c3ccc(O)c(C)c3)nc[n+]2[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
AGER Q15109 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MAOB P27338 2/20 0.38
ESR1 P03372 6/20 0.38
ESR2 Q92731 4/20 0.38
YES1 P07947 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35

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 0.87 CHEK1 (0.40) ESR1ESR2
SCHEMBL383387 0.84 TLR8 (0.44) TSHRESR2
SCHEMBL385515 0.83 ESR1 (0.38) KDM4EAGERESR1ESR2KDR
SCHEMBL384932 0.81 ACHE (0.50) KDM4ETSHRADORA2AADORA1SRC
SCHEMBL386323 0.77 NPC1 (0.42) KDM4ETSHRESR1ESR2
SCHEMBL386549 0.77 TLR8 (0.38) ESR1ESR2
SCHEMBL385852 0.76 CDC7 (0.60) KDM4ETSHRAGERADORA2AADORA1
SCHEMBL385056 0.74 TLR8 (0.47) KDM4EESR1
SCHEMBL383765 0.74 TP53 (0.40) KDM4EESR1ESR2
SCHEMBL385493 0.74 TLR8 (0.43) KDM4EESR1ESR2

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 KDM4E 1821/4885TSHR 1610/4885AGER 3948/4885

“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.