SCHEMBL3329490

SCHEMBL3329490

COc1cccc(CNC(=O)c2ccc(-c3cc(-c4ccc(O)c(C)c4)nc(=O)[nH]3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
PIM1 P11309 2/20 0.56
CDC7 O00311 1/20 0.56
CSNK2A2 P19784 1/20 0.56
CLK1 P49759 1/20 0.56
CSNK2B P67870 1/20 0.56
CSNK2A1 P68400 1/20 0.56
CSNK2A3 Q8NEV1 1/20 0.56
ROCK2 O75116 7/20 0.55
ROCK1 Q13464 4/20 0.55
PRKACA P17612 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
GSK3A P49840 1/20 0.55
PRKX P51817 1/20 0.55
PRKCQ Q04759 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
MMP13 P45452 4/20 0.51
MAPK14 Q16539 2/20 0.49

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
SCHEMBL3335096 0.94 ROCK2 (0.55) GSK3BPIM1CDC7CSNK2A2CLK1
SCHEMBL3334789 0.90 PIM1 (0.56) GSK3BPIM1CDC7CSNK2A2CLK1
SCHEMBL3332479 0.88 PIM1 (0.69) GSK3BPIM1CDC7CSNK2A2CLK1
SCHEMBL3330902 0.88 PIM1 (0.58) GSK3BPIM1CDC7CSNK2A2CLK1
SCHEMBL3325695 0.87 ADORA2A (0.57) GSK3BPIM1CDC7CSNK2A2CLK1
SCHEMBL3331770 0.86 PIM1 (0.56) GSK3BPIM1CDC7CSNK2A2CLK1
SCHEMBL3328825 0.85 PIM1 (0.52) GSK3BPIM1CDC7CSNK2A2CLK1
SCHEMBL3328710 0.84 PIM1 (0.58) GSK3BPIM1CDC7CSNK2A2CLK1
SCHEMBL3335116 0.83 PIM1 (0.59) GSK3BPIM1CDC7CSNK2A2CLK1
SCHEMBL3330209 0.83 PIM1 (0.58) GSK3BPIM1CDC7CSNK2A2CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US claimed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US claimed
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

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 GSK3B 907/4885PIM1 1/4885CDC7 3813/4885

“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.