SCHEMBL3330102

SCHEMBL3330102

Cc1cc(-c2cc(-c3cccc(OCC(=O)NCC4CCCO4)c3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 6/20 0.49
HPGD P15428 3/20 0.49
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
KDM4E B2RXH2 3/20 0.49
POLB P06746 1/20 0.47
MAPT P10636 4/20 0.47
RXFP1 Q9HBX9 1/20 0.47
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL3335107 0.92 HPGD (0.52) SMN1; SMN2ALDH1A1HPGDCDC7PIM1
SCHEMBL3331393 0.89 CDC7 (0.54) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3328988 0.88 PIM1 (0.52) SMN1; SMN2ALDH1A1HPGDCDC7PIM1
SCHEMBL3334285 0.86 PIM1 (0.51) CDC7PIM1CSNK2A2CLK1GSK3B
SCHEMBL3330187 0.86 HPGD (0.55) SMN1; SMN2ALDH1A1HPGDCDC7PIM1
SCHEMBL3330807 0.84 PIM1 (0.54) SMN1; SMN2CDC7PIM1CSNK2A2CLK1
SCHEMBL3329861 0.84 PIM1 (0.54) SMN1; SMN2CDC7PIM1CSNK2A2CLK1
SCHEMBL3330845 0.84 PIM1 (0.56) SMN1; SMN2HPGDCDC7PIM1CSNK2A2
SCHEMBL3331139 0.84 PIM1 (0.47) ALDH1A1HPGDCDC7PIM1CSNK2A2
SCHEMBL3331620 0.83 PIM1 (0.53) SMN1; SMN2CDC7PIM1CSNK2A2CLK1

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 SMN1; SMN2 2631/4885ALDH1A1 851/4885HPGD 2939/4885

“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.