SCHEMBL3330859

SCHEMBL3330859

Cc1cc(-c2cc(-c3cccc(OCC(=O)NCCC4CCCN4C)c3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
PIM1 P11309 2/20 0.47
CDC7 O00311 2/20 0.47
CSNK2A2 P19784 1/20 0.47
CLK1 P49759 1/20 0.47
GSK3B P49841 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
ACKR3 P25106 2/20 0.39
CHRM3 P20309 1/20 0.38
EGLN1 Q9GZT9 2/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
ACP1 P24666 2/20 0.37
POLR1A O95602 1/20 0.37
BTK Q06187 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3325954 0.88 PIM1 (0.52) PDE3BPDE3APIM1CDC7CSNK2A2
SCHEMBL3330554 0.87 PIM1 (0.51) PDE3BPDE3APIM1CDC7CSNK2A2
SCHEMBL3329834 0.87 PIM1 (0.50) PDE3BPDE3APIM1CDC7CSNK2A2
SCHEMBL3331139 0.86 PIM1 (0.47) PDE3BPDE3APIM1CDC7CSNK2A2
SCHEMBL3331712 0.86 ACHE (0.50) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3335075 0.84 CDC7 (0.57) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3331393 0.84 CDC7 (0.54) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3329556 0.84 PIM1 (0.52) PDE3BPDE3APIM1CDC7CSNK2A2
SCHEMBL3330254 0.84 HSD17B10 (0.56) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3330676 0.84 CDC7 (0.56) 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 13 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
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 PDE3B 550/4885PDE3A 841/4885PIM1 1/4885

“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.