SCHEMBL5221959

SCHEMBL5221959

CCn1ncc2c(N)cc(C(=O)OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
PTGER3 P43115 3/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
USP2 O75604 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38

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
SCHEMBL15910578 0.84 KDM4E (0.48) KDM4EGAAHSD17B10NPSR1MEN1
SCHEMBL5223269 0.80 KDM4E (0.49) KDM4EGAAHSD17B10NPSR1MEN1
SCHEMBL27371281 0.78 KDM4E (0.40) KDM4EGAAHSD17B10NPSR1TSHR
SCHEMBL5221894 0.78 BACE1 (0.49) KDM4EGAAHSD17B10NPSR1MEN1
SCHEMBL5221827 0.75 KDM4E (0.41) KDM4EGAAHSD17B10NPSR1MEN1
SCHEMBL29491465 0.75 PTGER3 (0.52) KDM4EGAAHSD17B10NPSR1MEN1
SCHEMBL15656940 0.75 PTGER3 (0.52) KDM4EGAAHSD17B10NPSR1MEN1
SCHEMBL5221750 0.74 KDM4E (0.44) KDM4EGAAHSD17B10NPSR1MAPT
SCHEMBL5218380 0.74 PIK3C3 (0.39) KDM4EGAAHSD17B10NPSR1MEN1
SCHEMBL5218370 0.74 PTGER3 (0.37) KDM4EGAAHSD17B10NPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 CN disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 KDM4E 1129/4885GAA 80/4885HSD17B10 1753/4885

“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.