SCHEMBL3332264

SCHEMBL3332264

Cc1cc(-c2cc(-c3ccc(OCC(=O)NCCCN4CCOCC4)cc3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
LMNA P02545 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
HBB P68871 1/20 0.48
CDC7 O00311 1/20 0.48
PIM1 P11309 1/20 0.48
CSNK2A2 P19784 1/20 0.48
CLK1 P49759 1/20 0.48
GSK3B P49841 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
CSNK2A3 Q8NEV1 1/20 0.48
ACHE P22303 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 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
SCHEMBL3335115 0.95 MAPK1 (0.54) MAPK1LMNAHSD17B10KDM4EALDH1A1
SCHEMBL3334269 0.93 ACHE (0.54) MAPK1LMNAHSD17B10KDM4EALDH1A1
SCHEMBL3331163 0.93 HSD17B10 (0.51) MAPK1LMNAHSD17B10KDM4EALDH1A1
SCHEMBL3330991 0.92 PIM1 (0.49) MAPK1LMNAHSD17B10KDM4EALDH1A1
SCHEMBL3330254 0.88 HSD17B10 (0.56) MAPK1LMNAHSD17B10KDM4EALDH1A1
SCHEMBL3326257 0.87 KMT2A (0.52) MAPK1LMNAKDM4EALDH1A1HBB
SCHEMBL3329976 0.86 CDC7 (0.52) KDM4EALDH1A1CDC7PIM1CSNK2A2
SCHEMBL3334243 0.85 KDM4E (0.55) MAPK1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL3331712 0.85 ACHE (0.50) LMNAHSD17B10KDM4EALDH1A1HPGD
SCHEMBL3328062 0.85 PIM1 (0.56) HSD17B10KDM4EALDH1A1HPGDCDC7

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 11 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
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 MAPK1 237/4885LMNA 2728/4885HSD17B10 3702/4885

“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.