SCHEMBL16146201

SCHEMBL16146201

Nc1nc(NCc2cccc(I)c2)nc2[nH]cnc12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.40
ADORA2A P29274 4/20 0.40
ADORA2B P29275 4/20 0.40
ADORA1 P30542 4/20 0.40
ADORA3 P0DMS8 3/20 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
SCHEMBL16146546 0.85 APP (0.57) APPADORA2AADORA2BADORA1ADORA3
SCHEMBL16146402 0.85 CYP1A2 (0.46) APPADORA2AADORA2BADORA1ADORA3
SCHEMBL16146882 0.85 APP (0.57) APPADORA1ADORA3
SCHEMBL16146877 0.85 ADORA3 (0.37) ADORA2AADORA1ADORA3
SCHEMBL13729103 0.84 APP (0.54) APPADORA2AADORA2BADORA1ADORA3
SCHEMBL16146202 0.81 CDK1 (0.48) ADORA3
SCHEMBL16146459 0.81 CDK1 (0.48) APPADORA2AADORA2BADORA1ADORA3
SCHEMBL448638 0.81 CDC7 (0.37) ADORA2AADORA2BADORA1ADORA3
SCHEMBL4921713 0.80 CDC7 (0.48) ADORA2AADORA2BADORA1ADORA3
SCHEMBL16147158 0.79 ALPL (0.51) ADORA2AADORA2BADORA1ADORA3

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 4 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
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

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 APP 1642/4885ADORA2A 511/4885ADORA2B 1129/4885

“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.