SCHEMBL16147209

SCHEMBL16147209

CNc1nc(Cc2ccccc2)nc2[nH]cnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.52
PDE4B Q07343 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE4D Q08499 2/20 0.52
HTR2C P28335 3/20 0.48
HTR2B P41595 3/20 0.43
HTR1A P08908 2/20 0.43
HTR2A P28223 2/20 0.43
HTR6 P50406 2/20 0.43
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
YTHDC1 Q96MU7 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
CDK1 P06493 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL16147212 0.87 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL16145947 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL16146387 0.84 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL16146156 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL16147020 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL217337 0.81 ADORA1 (0.47) PDE4APDE4BPDE4CPDE4DTAAR1
SCHEMBL16146651 0.80 XDH (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL16147211 0.79 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL16146314 0.79 ADORA3 (0.54) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL16146396 0.78 TSHR (0.48) PDE4APDE4BPDE4CPDE4DHTR2C

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 2 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-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 PDE4A 284/4885PDE4B 377/4885PDE4C 448/4885

“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.