SCHEMBL3330266

SCHEMBL3330266

Cc1cc(-c2cc(-c3cccc(OCC(=O)N4CCCC(C)C4)c3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
PIM1 P11309 2/20 0.50
CDC7 O00311 2/20 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
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 4/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL3326412 0.92 MEN1 (0.55) KMT2AMEN1PIM1CDC7CSNK2A2
SCHEMBL3328105 0.92 CDC7 (0.52) KMT2AMEN1PIM1CDC7CSNK2A2
SCHEMBL3327755 0.91 PIM1 (0.53) KMT2AMEN1PIM1CDC7CSNK2A2
SCHEMBL3335290 0.90 PIM1 (0.48) KMT2AMEN1PIM1CDC7CSNK2A2
SCHEMBL3330519 0.90 PIM1 (0.56) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3328597 0.90 PIM1 (0.56) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3329867 0.88 CDC7 (0.53) KMT2AMEN1PIM1CDC7CSNK2A2
SCHEMBL3330398 0.88 CDC7 (0.54) KMT2APIM1CDC7CSNK2A2CLK1
SCHEMBL3331207 0.88 PIM1 (0.52) KMT2APIM1CDC7CSNK2A2CLK1
SCHEMBL3329463 0.87 PIM1 (0.52) KMT2APIM1CDC7CSNK2A2CLK1

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 KMT2A 1421/4885MEN1 3946/4885PIM1 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.