SCHEMBL3328343

SCHEMBL3328343

COc1ccccc1N1CCN(C(=O)COc2cccc(-c3cc(-c4ccc(O)c(C)c4)nc(=O)[nH]3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.52
ADORA2A P29274 1/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
PIM1 P11309 2/20 0.50
CDC7 O00311 1/20 0.50
CSNK2A2 P19784 1/20 0.50
CLK1 P49759 1/20 0.50
GSK3B P49841 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
CSNK2A3 Q8NEV1 1/20 0.50
HSD17B10 Q99714 1/20 0.48
LMNA P02545 4/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ADORA3 P0DMS8 1/20 0.46
POLB P06746 3/20 0.46
TDP1 Q9NUW8 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
SCHEMBL3329300 0.93 ADORA2B (0.59) ADORA2BADORA2AKMT2AMEN1PIM1
SCHEMBL3328802 0.89 PIM1 (0.50) ADORA2BADORA2AKMT2AMEN1PIM1
SCHEMBL3330813 0.88 MEN1 (0.52) ADORA2BADORA2AKMT2AMEN1PIM1
SCHEMBL3328960 0.87 CDC7 (0.55) ADORA2BADORA2AKMT2AMEN1PIM1
SCHEMBL3328858 0.87 PIM1 (0.55) ADORA2BADORA2AKMT2AMEN1PIM1
SCHEMBL3326022 0.86 PIM1 (0.55) KMT2AMEN1PIM1CDC7CSNK2A2
SCHEMBL3330519 0.86 PIM1 (0.56) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3328597 0.86 PIM1 (0.56) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3330099 0.85 PIM1 (0.53) ADORA2BADORA2AKMT2AMEN1PIM1
SCHEMBL3330289 0.85 CDC7 (0.55) ADORA2BADORA2APIM1CDC7CSNK2A2

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 10 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

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 ADORA2B 2793/4885ADORA2A 3159/4885KMT2A 1421/4885

“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.