SCHEMBL3330213

SCHEMBL3330213

Cc1cc(-c2cc(-c3cccc(C(=O)NCCCN4CCCC4)c3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 8/20 0.57
PIM1 P11309 2/20 0.54
CDC7 O00311 1/20 0.54
CSNK2A2 P19784 1/20 0.54
CLK1 P49759 1/20 0.54
GSK3B P49841 1/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A1 P68400 1/20 0.54
CSNK2A3 Q8NEV1 1/20 0.54
ERN1 O75460 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46
PARP1 P09874 2/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL3327002 0.95 PIM1 (0.56) SMYD2PIM1CDC7CSNK2A2CLK1
SCHEMBL3329189 0.94 PIM1 (0.53) SMYD2PIM1CDC7CSNK2A2CLK1
SCHEMBL3326721 0.94 ERN1 (0.56) SMYD2PIM1CDC7CSNK2A2CLK1
SCHEMBL3330401 0.93 CDC7 (0.52) SMYD2PIM1CDC7CSNK2A2CLK1
SCHEMBL3329435 0.92 PIM1 (0.54) SMYD2PIM1CDC7CSNK2A2CLK1
SCHEMBL3332225 0.89 USP2 (0.51) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3327878 0.88 ERN1 (0.57) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3330782 0.87 PIM1 (0.56) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3328360 0.87 PIM1 (0.61) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3330361 0.86 PIM1 (0.55) 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
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
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 SMYD2 1689/4885PIM1 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.