SCHEMBL383607

SCHEMBL383607

Cc1cc(-c2cc(-c3ccccc3OCCCO)[n+]([O-])cn2)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.38
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE5A O76074 1/20 0.35
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
FABP4 P15090 1/20 0.35
CDC7 O00311 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CLK1 P49759 1/20 0.34
GSK3B P49841 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
SCHEMBL383422 0.91 PIM1 (0.37) PIM1ESR1ESR2MEN1KMT2A
SCHEMBL385438 0.91 PIM1 (0.41) PIM1ESR1ESR2KMT2APDE5A
SCHEMBL385739 0.88 IDO1 (0.43) PIM1ESR1ESR2ALOX5APFEN1
SCHEMBL385515 0.87 ESR1 (0.38) PIM1ESR1ESR2LMNA
SCHEMBL385119 0.86 IDO1 (0.41) PIM1MEN1KMT2APOLBCDC7
SCHEMBL386149 0.86 PIM1 (0.38) PIM1ESR1ESR2PDE5ACDC7
SCHEMBL386324 0.79 PIM1 (0.53) PIM1ESR1ESR2MEN1KMT2A
SCHEMBL386112 0.78 ESR1 (0.38) ESR1ESR2RARGMEN1KMT2A
SCHEMBL386297 0.78 TLR8 (0.37) ESR1ESR2RARGMEN1KMT2A
SCHEMBL383070 0.75 PIM1 (0.67) PIM1ESR1ESR2PDE5ACDC7

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 PIM1 429/4885ESR1 1514/4885ESR2 1089/4885

“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.