SCHEMBL3327002

SCHEMBL3327002

Cc1cc(-c2cc(-c3cccc(C(=O)NCCN4CCCC4)c3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 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
ERN1 O75460 2/20 0.54
SMYD2 Q9NRG4 2/20 0.49
IKBKB O14920 1/20 0.49
MAP4K4 O95819 1/20 0.48
ATR Q13535 2/20 0.46
SRC P12931 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP1 P09874 2/20 0.44
SCN9A Q15858 1/20 0.44
CAMK2D Q13557 1/20 0.43

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
SCHEMBL3326721 0.99 ERN1 (0.56) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3330213 0.95 SMYD2 (0.57) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3327878 0.93 ERN1 (0.57) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3330782 0.92 PIM1 (0.56) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3330361 0.91 PIM1 (0.55) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3329189 0.89 PIM1 (0.53) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3330401 0.88 CDC7 (0.52) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3329435 0.87 PIM1 (0.54) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3325954 0.86 PIM1 (0.52) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL383364 0.86 PIM1 (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 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
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

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.