SCHEMBL16147166

SCHEMBL16147166

Oc1nc(NCc2ccccc2)c2[nH]cnc2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.71
PDE4A P27815 1/20 0.71
PDE4B Q07343 1/20 0.71
PDE4C Q08493 1/20 0.71
PDE4D Q08499 1/20 0.71
MAPK1 P28482 2/20 0.64
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
TSHR P16473 1/20 0.64
CDK2 P24941 1/20 0.64
TMIGD3 P0DMS9 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
STAT3 P40763 2/20 0.55
NUDT1 P36639 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC2 Q92769 2/20 0.54
MAPT P10636 1/20 0.53

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
SCHEMBL16146936 0.89 CDK1 (0.56) CDK1PDE4APDE4BPDE4CPDE4D
SCHEMBL16146670 0.86 CDK1 (0.54) CDK1PDE4APDE4BPDE4CPDE4D
SCHEMBL16146630 0.86 PRMT1 (0.66) CDK1PDE4APDE4BPDE4CPDE4D
SCHEMBL16146441 0.86 STAT3 (0.61) CDK1PDE4APDE4BPDE4CPDE4D
SCHEMBL28258583 0.85 PDE4A (0.78) CDK1PDE4APDE4BPDE4CPDE4D
SCHEMBL16146231 0.85 TMIGD3 (0.78) CDK1PDE4APDE4BPDE4CPDE4D
SCHEMBL30523446 0.85 AURKA (0.69) CDK1PDE4APDE4BPDE4CPDE4D
SCHEMBL30523389 0.85 TMIGD3 (0.78) CDK1PDE4APDE4BPDE4CPDE4D
SCHEMBL16146505 0.85 STAT3 (0.65) CDK1PDE4APDE4BPDE4CPDE4D
SCHEMBL16146227 0.85 AURKA (0.69) CDK1PDE4APDE4BPDE4CPDE4D

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 CDK1 2235/4885PDE4A 284/4885PDE4B 377/4885

“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.