SCHEMBL3329976

SCHEMBL3329976

Cc1cc(-c2cc(-c3ccc(C(=O)NCCCN4CCOCC4)cc3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.52
PIM1 P11309 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CLK1 P49759 1/20 0.52
GSK3B P49841 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
CSNK2A3 Q8NEV1 1/20 0.52
MAPK14 Q16539 1/20 0.51
TSHR P16473 1/20 0.49
CYP2C9 P11712 2/20 0.48
HPGDS O60760 1/20 0.48
CYP2D6 P10635 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL3326875 0.95 HPGDS (0.54) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3330401 0.93 CDC7 (0.52) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3329435 0.92 PIM1 (0.54) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3327878 0.88 ERN1 (0.57) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3330782 0.87 PIM1 (0.56) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3332264 0.86 MAPK1 (0.53) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3330361 0.86 PIM1 (0.55) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3330213 0.85 SMYD2 (0.57) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3329189 0.84 PIM1 (0.53) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3328298 0.83 CDC7 (0.60) CDC7PIM1CSNK2A2CLK1GSK3B

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 CDC7 3813/4885PIM1 1/4885CSNK2A2 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.