SCHEMBL16146181

SCHEMBL16146181

Cc1nc(NC2CCCC2)c2nc[nH]c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
PAK1 Q13153 2/20 0.46
PKM P14618 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP3A4 P08684 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
LRRK2 Q5S007 2/20 0.42
CRHR1 P34998 2/20 0.41
GABBR2 O75899 3/20 0.40
GABBR1 Q9UBS5 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
ADORA1 P30542 1/20 0.40
THPO P40225 1/20 0.40
PMP22 Q01453 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL16146498 0.98 LMNA (0.47) LMNAHTTPAK1PKMHSD17B10
SCHEMBL16145783 0.97 LMNA (0.42) LMNAHTTPAK1PKMHSD17B10
SCHEMBL16146711 0.94 LRRK2 (0.39) LMNAHTTPAK1PKMHSD17B10
SCHEMBL14181320 0.87 CYP3A4 (0.36) LMNAHTTPAK1PKMHSD17B10
SCHEMBL12282148 0.85 LMNA (0.46) LMNAHTTPAK1PKMHSD17B10
SCHEMBL16146910 0.84 LMNA (0.47) LMNAHTTPAK1PKMHSD17B10
SCHEMBL14183781 0.82 KMT2A (0.49) LMNAHTTPAK1PKMHSD17B10
SCHEMBL7621597 0.82 CHUK (0.50) LMNAHTTPAK1PKMHSD17B10
SCHEMBL16145824 0.82 LMNA (0.42) LMNAHTTPAK1PKMHSD17B10
SCHEMBL16146752 0.81 LMNA (0.47) 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 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 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.