SCHEMBL3330488

SCHEMBL3330488

COc1ccccc1CNC(=O)COc1ccc(-c2cc(-c3ccc(O)c(C)c3)nc(=O)[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.56
CDC7 O00311 1/20 0.56
CSNK2A2 P19784 1/20 0.56
CLK1 P49759 1/20 0.56
GSK3B P49841 1/20 0.56
CSNK2B P67870 1/20 0.56
CSNK2A1 P68400 1/20 0.56
CSNK2A3 Q8NEV1 1/20 0.56
NPC1 O15118 1/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 1/20 0.49
CXCL12 P48061 1/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ANO1 Q5XXA6 1/20 0.47
ANO2 Q9NQ90 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CACNA1B Q00975 1/20 0.42

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
SCHEMBL3330999 0.93 PIM1 (0.53) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3328562 0.89 PIM1 (0.57) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3331111 0.86 PIM1 (0.54) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3335116 0.86 PIM1 (0.59) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3327394 0.85 PIM1 (0.51) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3325695 0.85 ADORA2A (0.57) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3331137 0.84 CDC7 (0.56) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3330545 0.83 PIM1 (0.57) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3330172 0.83 PIM1 (0.54) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3331548 0.83 CDC7 (0.62) PIM1CDC7CSNK2A2CLK1GSK3B

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074103-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS Exelixis, Inc. (US) 2009-07-01 EP claimed
WO-2008133955-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS EXELIXIS, INC. (US) 2008-11-06 WO claimed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US disclosed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US disclosed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2074103-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2008133955-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS EXELIXIS, INC. (US) 2008-11-06 WO disclosed
WO-2008133955-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS EXELIXIS, INC. (US) 2008-11-06 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-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators PIM1, PIM2, PIM3 PIM1 1/4885CDC7 3813/4885CSNK2A2 61/4885

“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.