SCHEMBL3328355

SCHEMBL3328355

Cc1cc(-c2cc(-c3ccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.58
CDC7 O00311 1/20 0.58
CSNK2A2 P19784 1/20 0.58
CLK1 P49759 1/20 0.58
GSK3B P49841 1/20 0.58
CSNK2B P67870 1/20 0.58
CSNK2A1 P68400 1/20 0.58
CSNK2A3 Q8NEV1 1/20 0.58
ALDH1A1 P00352 7/20 0.50
TSHR P16473 4/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 1/20 0.47
PARP1 P09874 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 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
SCHEMBL3327625 0.93 PIM1 (0.56) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3333425 0.87 POLB (0.57) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3331328 0.86 PIM1 (0.62) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3331070 0.86 PIM1 (0.62) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3329226 0.86 PIM1 (0.65) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3328895 0.85 PIM1 (0.61) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3329643 0.85 PIM1 (0.62) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3329917 0.85 PIM1 (0.64) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3328230 0.85 PIM1 (0.64) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3334164 0.83 ALDH1A1 (0.51) 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 12 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

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.