SCHEMBL3329029

SCHEMBL3329029

Cc1cc(-c2cc(-c3cccc(OCC(=O)N4CCC(N5CCCCC5)CC4)c3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ACHE P22303 6/20 0.51
PIM1 P11309 2/20 0.49
CDC7 O00311 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
KDM4E B2RXH2 4/20 0.46
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
SLC2A3 P11169 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL3328871 0.93 KDM4E (0.57) CYP2D6CYP2C19NPSR1ACHEPIM1
SCHEMBL3327171 0.92 ACHE (0.54) CYP2D6CYP2C19NPSR1ACHEPIM1
SCHEMBL3330519 0.92 PIM1 (0.56) CYP2D6CYP2C19NPSR1PIM1CDC7
SCHEMBL3328597 0.92 PIM1 (0.56) CYP2D6CYP2C19NPSR1PIM1CDC7
SCHEMBL3330398 0.91 CDC7 (0.54) CYP2D6CYP2C19NPSR1ACHEPIM1
SCHEMBL3327755 0.90 PIM1 (0.53) CYP2D6CYP2C19NPSR1PIM1CDC7
SCHEMBL3329463 0.89 PIM1 (0.52) CYP2D6CYP2C19NPSR1ACHEPIM1
SCHEMBL3332207 0.88 PIM1 (0.54) CYP2D6CYP2C19NPSR1PIM1CDC7
SCHEMBL3327419 0.87 PIM1 (0.50) CYP2D6CYP2C19NPSR1PIM1CDC7
SCHEMBL3330289 0.86 CDC7 (0.55) NPSR1PIM1CDC7CSNK2A2CLK1

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 9 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
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 CYP2D6 37/4885CYP2C19 154/4885NPSR1 2058/4885

“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.