SCHEMBL3326600

SCHEMBL3326600

CCCN(CCC)C(=O)c1cccc(-c2cc(-c3ccc(O)c(C)c3)nc(=O)[nH]2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.64
PIM1 P11309 3/20 0.64
GSK3B P49841 2/20 0.64
CSNK2A1 P68400 2/20 0.64
CSNK2A2 P19784 1/20 0.64
CLK1 P49759 1/20 0.64
CSNK2B P67870 1/20 0.64
CSNK2A3 Q8NEV1 1/20 0.64
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
CXCL12 P48061 1/20 0.42
HSD17B1 P14061 3/20 0.41
HSD17B2 P37059 3/20 0.41
HSD17B14 Q9BPX1 1/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
RXFP1 Q9HBX9 1/20 0.39
MAPK13 O15264 1/20 0.38

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
SCHEMBL383790 0.89 PIM1 (0.61) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL3329529 0.89 CDC7 (0.60) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL385390 0.86 CDC7 (0.62) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL384919 0.85 CDC7 (0.60) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL3331950 0.84 CDC7 (0.57) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL386330 0.84 CDC7 (0.78) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL3330687 0.83 CDC7 (0.61) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL3328360 0.82 PIM1 (0.61) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL385187 0.81 PIM1 (0.58) CDC7PIM1GSK3BCSNK2A1CSNK2A2
SCHEMBL385521 0.81 PIM1 (0.60) CDC7PIM1GSK3BCSNK2A1CSNK2A2

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 CDC7 3813/4885PIM1 1/4885GSK3B 907/4885

“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.