SCHEMBL3329414

SCHEMBL3329414

CCN(CC)CCNC(=O)COc1ccc(-c2cc(-c3ccc(O)c(C)c3)nc(=O)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.53
CDC7 O00311 1/20 0.53
CSNK2A2 P19784 1/20 0.53
CLK1 P49759 1/20 0.53
GSK3B P49841 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
CSNK2A3 Q8NEV1 1/20 0.53
CYP2D6 P10635 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.49
ADORA2B P29275 3/20 0.42
ADORA2A P29274 2/20 0.42
IGF1R P08069 1/20 0.42
CXCL12 P48061 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3334155 0.92 CDC7 (0.52) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3330870 0.91 PIM1 (0.55) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3334920 0.90 CDC7 (0.58) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3328062 0.89 PIM1 (0.56) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3329865 0.88 PIM1 (0.53) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3331277 0.88 PIM1 (0.55) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3329763 0.88 CDC7 (0.57) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3332263 0.87 CDC7 (0.56) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL4011364 0.86 CDC7 (0.53) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL14037998 0.86 CDC7 (0.55) 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 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 PIM1 1/4885CDC7 3813/4885CSNK2A2 61/4885

“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.