SCHEMBL3328616

SCHEMBL3328616

CCN1CCCC1CNC(=O)c1ccc(-c2cc(-c3ccc(O)c(C)c3)nc(=O)[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.51
PIM1 P11309 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
HSD17B10 Q99714 2/20 0.49
MCHR1 Q99705 1/20 0.47
TSHR P16473 1/20 0.47
DRD2 P14416 6/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
IKBKB O14920 1/20 0.45
ABCG2 Q9UNQ0 1/20 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
SCHEMBL3330979 0.93 PIM1 (0.51) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3329556 0.84 PIM1 (0.52) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3329562 0.84 PIM1 (0.60) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3332441 0.84 PIM1 (0.57) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3331139 0.83 PIM1 (0.47) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3333484 0.81 PIM1 (0.54) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3330327 0.81 PIM1 (0.56) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3330782 0.79 PIM1 (0.56) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3330361 0.79 PIM1 (0.55) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3329435 0.78 PIM1 (0.54) CDC7PIM1CSNK2A2CLK1GSK3B

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 1/4885CSNK2A2 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.