SCHEMBL3334164

SCHEMBL3334164

Cc1cc(-c2cc(-c3cccc(OCC(=O)N4CCN(C(=O)c5ccco5)CC4)c3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
POLB P06746 4/20 0.51
GLA P06280 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 6/20 0.49
CDC7 O00311 2/20 0.49
PIM1 P11309 2/20 0.49
CSNK2A2 P19784 1/20 0.49
CLK1 P49759 1/20 0.49
GSK3B P49841 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
ABCB1 P08183 1/20 0.44
MAPT P10636 5/20 0.44
USP2 O75604 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HSP90AA1 P07900 2/20 0.44
MAPK1 P28482 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
SCHEMBL3333425 0.93 POLB (0.57) ALDH1A1POLBGLASMN1; SMN2KDM4E
SCHEMBL3328960 0.88 CDC7 (0.55) ALDH1A1KDM4ECDC7PIM1CSNK2A2
SCHEMBL3328858 0.88 PIM1 (0.55) ALDH1A1POLBSMN1; SMN2KDM4ECDC7
SCHEMBL3327625 0.87 PIM1 (0.56) ALDH1A1SMN1; SMN2KDM4ECDC7PIM1
SCHEMBL3328597 0.87 PIM1 (0.56) ALDH1A1SMN1; SMN2CDC7PIM1CSNK2A2
SCHEMBL3330519 0.87 PIM1 (0.56) ALDH1A1SMN1; SMN2CDC7PIM1CSNK2A2
SCHEMBL3333541 0.86 CDC7 (0.55) ALDH1A1SMN1; SMN2KDM4ECDC7PIM1
SCHEMBL3330099 0.86 PIM1 (0.53) ALDH1A1POLBSMN1; SMN2KDM4ECDC7
SCHEMBL3330289 0.86 CDC7 (0.55) ALDH1A1KDM4ECDC7PIM1CSNK2A2
SCHEMBL3330398 0.85 CDC7 (0.54) ALDH1A1SMN1; SMN2KDM4ECDC7PIM1

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 ALDH1A1 851/4885POLB 4306/4885GLA 4136/4885

“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.