SCHEMBL3334243

SCHEMBL3334243

Cc1cc(-c2cc(-c3ccc(OCC(=O)NCCCN4CCCC4=O)cc3)[nH]c(=O)n2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
POLB P06746 1/20 0.55
PIM1 P11309 2/20 0.47
CDC7 O00311 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CLK1 P49759 1/20 0.47
GSK3B P49841 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
RCE1 Q9Y256 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 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
SCHEMBL3334269 0.89 ACHE (0.54) KDM4EPIM1CDC7CSNK2A2CLK1
SCHEMBL3330991 0.87 PIM1 (0.49) KDM4EPOLBPIM1CDC7CSNK2A2
SCHEMBL14038096 0.87 KDM4E (0.54) KDM4EPOLBRCE1ALDH1A1HSD17B10
SCHEMBL3332264 0.85 MAPK1 (0.53) KDM4EPIM1CDC7CSNK2A2CLK1
SCHEMBL3326257 0.85 KMT2A (0.52) KDM4EPOLBPIM1CDC7CSNK2A2
SCHEMBL3328062 0.85 PIM1 (0.56) KDM4EPIM1CDC7CSNK2A2CLK1
SCHEMBL3327159 0.84 PIM1 (0.55) KDM4EPIM1CDC7CSNK2A2CLK1
SCHEMBL14037998 0.84 CDC7 (0.55) KDM4EPIM1CDC7CSNK2A2CLK1
SCHEMBL3331277 0.84 PIM1 (0.55) PIM1CDC7CSNK2A2CLK1GSK3B
SCHEMBL3325796 0.83 PIM1 (0.54) KDM4EPOLBPIM1CDC7CSNK2A2

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 10 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

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 KDM4E 672/4885POLB 4306/4885PIM1 1/4885

“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.