SCHEMBL8348019

SCHEMBL8348019

CCNc1nc(N)nc2[nH]cnc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.40
CDK1 P06493 5/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
NUDT1 P36639 1/20 0.36
PRKACA P17612 3/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
CCNB1 P14635 3/20 0.35
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
CCNA1 P78396 3/20 0.35
CHUK O15111 2/20 0.35
PIN1 Q13526 1/20 0.34
BRAF P15056 1/20 0.33

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
SCHEMBL8826182 0.87 APP (0.47) TLR8TLR7NUDT1PRKACAADORA3
SCHEMBL12933327 0.83 NUDT1 (0.51) CDK1TLR8TLR7NUDT1PRKACA
SCHEMBL16146484 0.83 HRH4 (0.39) CDK1TLR7NUDT1PRKACACCNB1
SCHEMBL8826174 0.82 TLR8 (0.50) CDK1TLR8TLR7CCNB1
SCHEMBL10838740 0.82 NUDT1 (0.41) CDK1TLR8TLR7NUDT1PRKACA
SCHEMBL16146880 0.81 CRHR1 (0.36) CDK1ADORA3CCNB1CCNA2CDK2
SCHEMBL16146383 0.81 PGK1 (0.36) CDK1ADORA3CCNB1CCNA2CDK2
SCHEMBL129817 0.81 CHUK (0.44) CDK1NUDT1PRKACAADORA3ADORA1
SCHEMBL8826353 0.81 CHUK (0.50) CDK1TLR8TLR7NUDT1PRKACA
SCHEMBL16146189 0.80 CYP1A2 (0.42) CDK1TLR8TLR7NUDT1PRKACA

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 5 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
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 WO 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 NLRP3 1254/4885CDK1 2235/4885TLR8 1408/4885

“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.