SCHEMBL7621600

SCHEMBL7621600

Nc1nc(NC2CCCC2)c2[nH]cnc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
HTT P42858 3/20 0.62
PAK1 Q13153 1/20 0.62
PKM P14618 1/20 0.61
HSD17B10 Q99714 1/20 0.61
ADORA3 P0DMS8 12/20 0.61
ADORA1 P30542 8/20 0.60
ADORA2A P29274 7/20 0.60
ALDH1A1 P00352 1/20 0.57
BTK Q06187 1/20 0.53
CDK1 P06493 2/20 0.52
CCNB1 P14635 2/20 0.52
CCNA2 P20248 2/20 0.52
CDK2 P24941 2/20 0.52
CCNA1 P78396 2/20 0.52
ADRA2C P18825 1/20 0.52
CCNB2 O95067 1/20 0.51
MAPK3 P27361 1/20 0.51
CLK1 P49759 1/20 0.51
CDK5 Q00535 1/20 0.51

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
SCHEMBL797051 0.99 LMNA (0.63) LMNAHTTPAK1PKMHSD17B10
SCHEMBL7626878 0.97 LMNA (0.58) LMNAHTTPAK1PKMHSD17B10
SCHEMBL133157 0.94 LMNA (0.54) LMNAHTTPAK1PKMHSD17B10
SCHEMBL16146182 0.82 ADORA3 (0.64) LMNAHTTPAK1PKMHSD17B10
SCHEMBL16146275 0.82 LMNA (0.62) LMNAHTTPAK1PKMHSD17B10
SCHEMBL16146720 0.81 LMNA (0.63) LMNAHTTPAK1PKMHSD17B10
SCHEMBL3451451 0.81 LMNA (0.63) LMNAHTTPAK1PKMHSD17B10
SCHEMBL16146912 0.81 LMNA (0.63) LMNAHTTPAK1PKMHSD17B10
SCHEMBL16146166 0.81 LMNA (0.63) LMNAHTTPAK1PKMHSD17B10
SCHEMBL1803031 0.81 LMNA (0.63) LMNAHTTPAK1PKMHSD17B10

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-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-6444656-B1 (5R)-(2-AMINO-6-HYDROXY-PURIN-9-YLMETHYL)-(4R)-AZIDO-TETRAHYDR O-FURAN-(2S)- PHOSPHONATE; PARTICULARLY AGAINST HIV AND/OR HBV INFECTIONS BIOCHEM PHARMA, INC. (CA) 2002-09-03 US claimed
CN-116492347-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2023-07-28 CN disclosed
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
US-6444656-B1 (5R)-(2-AMINO-6-HYDROXY-PURIN-9-YLMETHYL)-(4R)-AZIDO-TETRAHYDR O-FURAN-(2S)- PHOSPHONATE; PARTICULARLY AGAINST HIV AND/OR HBV INFECTIONS BIOCHEM PHARMA, INC. (CA) 2002-09-03 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-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 LMNA 599/4885HTT 3291/4885PAK1 197/4885

“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.