SCHEMBL3326002

SCHEMBL3326002

Cc1cc(-c2cc(-c3ccc(OCC(=O)NCc4ccco4)cc3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.56
ADORA2B P29275 1/20 0.56
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
ALDH1A1 P00352 9/20 0.54
MAPT P10636 4/20 0.54
HPGD P15428 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 1/20 0.49
HAVCR2 Q8TDQ0 1/20 0.47
TSHR P16473 3/20 0.47
PKM P14618 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
SCHEMBL4017057 0.97 ADORA2A (0.54) ADORA2AADORA2BPIM1CDC7CSNK2A2
SCHEMBL3328154 0.93 HAVCR2 (0.53) ADORA2AADORA2BPIM1CDC7CSNK2A2
SCHEMBL3329532 0.87 CDC7 (0.52) ADORA2AADORA2BPIM1CDC7CSNK2A2
SCHEMBL3334916 0.85 PIM1 (0.59) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3326719 0.85 HPGD (0.54) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3329475 0.84 PIM1 (0.53) ADORA2AADORA2BPIM1CDC7CSNK2A2
SCHEMBL3330172 0.84 PIM1 (0.54) ADORA2AADORA2BPIM1CDC7CSNK2A2
SCHEMBL3331111 0.84 PIM1 (0.54) ADORA2AADORA2BPIM1CDC7CSNK2A2
SCHEMBL3334920 0.83 CDC7 (0.58) ADORA2AADORA2BPIM1CDC7CSNK2A2
SCHEMBL3328562 0.83 PIM1 (0.57) ADORA2AADORA2BPIM1CDC7CSNK2A2

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 9 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
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 ADORA2A 3159/4885ADORA2B 2793/4885PIM1 1/4885

“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.