SCHEMBL3328154

SCHEMBL3328154

Cc1cc(-c2cc(-c3cccc(OCC(=O)NCc4ccco4)c3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.53
ALDH1A1 P00352 11/20 0.52
MAPT P10636 6/20 0.52
HPGD P15428 4/20 0.52
PIM1 P11309 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CDC7 O00311 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
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
KDM4E B2RXH2 6/20 0.47
KMT2A Q03164 3/20 0.47
HSD17B10 Q99714 3/20 0.44
POLB P06746 2/20 0.44
ALOX15 P16050 2/20 0.44

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
SCHEMBL4017057 0.93 ADORA2A (0.54) HAVCR2ALDH1A1MAPTHPGDPIM1
SCHEMBL3326002 0.93 ADORA2A (0.56) HAVCR2ALDH1A1MAPTHPGDPIM1
SCHEMBL3330808 0.89 CDC7 (0.52) HAVCR2ALDH1A1MAPTHPGDPIM1
SCHEMBL384804 0.87 CDC7 (0.60) ALDH1A1HPGDPIM1CDC7CSNK2A2
SCHEMBL3329807 0.85 CDC7 (0.53) ALDH1A1HPGDPIM1NPSR1CDC7
SCHEMBL3332195 0.85 PIM1 (0.57) ALDH1A1MAPTHPGDPIM1CDC7
SCHEMBL3335075 0.85 CDC7 (0.57) ALDH1A1MAPTHPGDPIM1CDC7
SCHEMBL3329860 0.85 PIM1 (0.51) HAVCR2ALDH1A1MAPTPIM1CDC7
SCHEMBL3328825 0.85 PIM1 (0.52) ALDH1A1MAPTPIM1CDC7CSNK2A2
SCHEMBL3334149 0.85 PIM1 (0.52) MAPTPIM1CDC7CSNK2A2CLK1

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 HAVCR2 4339/4885ALDH1A1 851/4885MAPT 3346/4885

“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.