SCHEMBL3335115

SCHEMBL3335115

Cc1cc(-c2cc(-c3ccc(OCC(=O)NCCN4CCOCC4)cc3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.54
HBB P68871 1/20 0.54
LMNA P02545 2/20 0.51
HSD17B10 Q99714 3/20 0.51
CDC7 O00311 1/20 0.49
PIM1 P11309 1/20 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
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
ABL1 P00519 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL3332264 0.95 MAPK1 (0.53) MAPK1HBBLMNAHSD17B10CDC7
SCHEMBL3330254 0.92 HSD17B10 (0.56) MAPK1HBBLMNAHSD17B10CDC7
SCHEMBL3326257 0.92 KMT2A (0.52) MAPK1HBBLMNACDC7PIM1
SCHEMBL3334269 0.88 ACHE (0.54) MAPK1LMNAHSD17B10CDC7PIM1
SCHEMBL3331163 0.88 HSD17B10 (0.51) MAPK1HBBLMNAHSD17B10CDC7
SCHEMBL3330991 0.87 PIM1 (0.49) MAPK1LMNAHSD17B10CDC7PIM1
SCHEMBL3326875 0.86 HPGDS (0.54) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3330554 0.85 PIM1 (0.51) MAPK1HBBLMNAHSD17B10CDC7
SCHEMBL3334920 0.85 CDC7 (0.58) HSD17B10CDC7PIM1CSNK2A2CLK1
SCHEMBL3329834 0.84 PIM1 (0.50) MAPK1HBBHSD17B10CDC7PIM1

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 MAPK1 237/4885HBB 3278/4885LMNA 2728/4885

“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.