SCHEMBL3333425

SCHEMBL3333425

Cc1cc(-c2cc(-c3ccc(OCC(=O)N4CCN(C(=O)c5ccco5)CC4)cc3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.57
ALDH1A1 P00352 12/20 0.54
GLA P06280 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 4/20 0.51
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
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 4/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 4/20 0.44
KMT2A Q03164 4/20 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
SCHEMBL3334164 0.93 ALDH1A1 (0.51) POLBALDH1A1GLASMN1; SMN2KDM4E
SCHEMBL3328355 0.87 PIM1 (0.58) ALDH1A1SMN1; SMN2KDM4EPIM1CDC7
SCHEMBL3330130 0.86 PIM1 (0.56) ALDH1A1KDM4EPIM1CDC7CSNK2A2
SCHEMBL3329650 0.86 PIM1 (0.56) POLBALDH1A1SMN1; SMN2KDM4EPIM1
SCHEMBL3330876 0.86 PIM1 (0.58) POLBALDH1A1SMN1; SMN2KDM4EPIM1
SCHEMBL3332336 0.86 ADORA2B (0.58) POLBALDH1A1SMN1; SMN2KDM4EPIM1
SCHEMBL3325998 0.85 PIM1 (0.55) POLBALDH1A1SMN1; SMN2KDM4EPIM1
SCHEMBL3329331 0.85 PIM1 (0.57) POLBALDH1A1SMN1; SMN2PIM1CDC7
SCHEMBL3330850 0.85 PIM1 (0.57) POLBALDH1A1SMN1; SMN2PIM1CDC7
SCHEMBL3331171 0.84 PIM1 (0.54) POLBPIM1CDC7CSNK2A2CLK1

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 11 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
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 POLB 4306/4885ALDH1A1 851/4885GLA 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.