SCHEMBL3326257

SCHEMBL3326257

Cc1cc(-c2cc(-c3ccc(OCC(=O)NCCN4CCCCC4)cc3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
PIM1 P11309 2/20 0.51
CDC7 O00311 1/20 0.51
CSNK2A2 P19784 1/20 0.51
CLK1 P49759 1/20 0.51
GSK3B P49841 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
CSNK2A3 Q8NEV1 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ACHE P22303 5/20 0.49
ALDH1A1 P00352 2/20 0.48
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BCHE P06276 2/20 0.43
MAPK1 P28482 1/20 0.43
HBB P68871 1/20 0.43
SCN9A Q15858 1/20 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
SCHEMBL3334269 0.94 ACHE (0.54) KMT2APIM1CDC7CSNK2A2CLK1
SCHEMBL3329834 0.92 PIM1 (0.50) KMT2APIM1CDC7CSNK2A2CLK1
SCHEMBL3335115 0.92 MAPK1 (0.54) KMT2APIM1CDC7CSNK2A2CLK1
SCHEMBL3330554 0.91 PIM1 (0.51) KMT2APIM1CDC7CSNK2A2CLK1
SCHEMBL3330991 0.89 PIM1 (0.49) KMT2APIM1CDC7CSNK2A2CLK1
SCHEMBL3332264 0.87 MAPK1 (0.53) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3331712 0.87 ACHE (0.50) KMT2APIM1CDC7CSNK2A2CLK1
SCHEMBL3334920 0.86 CDC7 (0.58) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3330361 0.85 PIM1 (0.55) KMT2APIM1CDC7CSNK2A2CLK1
SCHEMBL3329763 0.85 CDC7 (0.57) PIM1CDC7CSNK2A2CLK1GSK3B

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 12 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

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 1421/4885PIM1 1/4885CDC7 3813/4885

“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.