SCHEMBL3704271

SCHEMBL3704271

COc1ccc(CN2C(=O)[C@H]3CN(C(=O)O)CC[C@H]3C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTT P42858 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL4527713 1.00 CMA1 (0.47) CMA1KDM4EALDH1A1LMNARAB9A
SCHEMBL3699719 1.00 CMA1 (0.47) CMA1KDM4EALDH1A1LMNARAB9A
SCHEMBL13934925 0.85 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL13934924 0.85 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL18205222 0.82 CMA1 (0.64) CMA1KDM4EALDH1A1GSK3AGSK3B
SCHEMBL45049 0.79 ALDH1A1 (0.64) CMA1KDM4EALDH1A1LMNARAB9A
SCHEMBL45048 0.79 ALDH1A1 (0.64) CMA1KDM4EALDH1A1LMNARAB9A
SCHEMBL22121655 0.75 MEN1 (0.42) KDM4EALDH1A1LMNARAB9AGSK3B
SCHEMBL22121627 0.74 GSK3B (0.41) KDM4EALDH1A1LMNARAB9AGSK3B
SCHEMBL22367341 0.73 ALDH1A1 (0.47) KDM4EALDH1A1CYP3A4GAASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190824-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM Wyeth a Corporation of the State of Delaware (US) 2010-06-02 EP disclosed
WO-2009026326-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO disclosed
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 US disclosed
WO-2009026319-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 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-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A CMA1 4216/4885KDM4E 4639/4885ALDH1A1 2250/4885

“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.