SCHEMBL16146723

SCHEMBL16146723

CC(=O)Nc1nc(Br)nc2[nH]cnc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GDA Q9Y2T3 1/20 0.38
▸ DYRK1A Q13627 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ IDO1 P14902 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ ADORA3 P0DMS8 3/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ SRC P12931 2/20 0.31
▸ ADK P55263 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.30
▸ HSP90AB1 P08238 1/20 0.30

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
SCHEMBL16146678 0.83 GDA (0.39) GDADYRK1ABRAFL3MBTL1ALDH1A1
SCHEMBL16146754 0.83 GDA (0.39) GDADYRK1ABRAFIDO1L3MBTL1
SCHEMBL16146526 0.83 ADORA3 (0.43) GDABRAFL3MBTL1ALDH1A1CTSS
SCHEMBL9021288 0.83 CYP1A2 (0.40) GDABRAFL3MBTL1ALDH1A1ADORA3
SCHEMBL16145714 0.81 GDA (0.38) GDABRAFIDO1L3MBTL1ALDH1A1
SCHEMBL14196063 0.81 XDH (0.40) GDABRAFL3MBTL1KDM4EADK
SCHEMBL16146641 0.81 GDA (0.38) GDABRAFL3MBTL1ALDH1A1GAA
SCHEMBL16146213 0.81 GDA (0.38) GDADYRK1ABRAFIDO1L3MBTL1
SCHEMBL16145842 0.79 GDA (0.40) GDABRAFL3MBTL1KDM4EGAA
SCHEMBL16147419 0.78 XDH (0.38) DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2014-10-09 — — US claimed
US-9938279-B2 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2018-04-10 — — US disclosed
US-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2014-10-09 — — 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-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) PRKAG2, PRKAB2, PRKAG1 GDA 1170/4885DYRK1A 4275/4885BRAF 1974/4885

“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.

Send feedback