SCHEMBL16146988

SCHEMBL16146988

CNc1nc(I)nc2nc[nH]c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.65
▸ ADORA1 P30542 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ CDK2 P24941 1/20 0.43
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ MAPT P10636 1/20 0.40
▸ CDK1 P06493 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ GDA Q9Y2T3 1/20 0.38
▸ BRAF P15056 1/20 0.38

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
SCHEMBL28004413 0.81 HTR2B (0.50) XDHADORA1HTR2BADORA3CDK2
SCHEMBL20565 0.80 XDH (0.67) XDHADORA1ADORA3ADORA2APDE4A
SCHEMBL30523428 0.80 XDH (0.67) XDHADORA1ADORA3ADORA2APDE4A
SCHEMBL11876697 0.80 XDH (0.67) XDHADORA1ADORA3ADORA2ACDK2
SCHEMBL16147011 0.79 HTT (0.61) XDHADORA1HTR2BADORA3PDE4A
SCHEMBL16146215 0.79 GDA (0.54) XDHADORA1HTR2BCDK2CYP1A2
SCHEMBL16145960 0.79 XDH (0.65) XDHADORA3ADORA2ACDK2PDE4A
SCHEMBL1996891 0.79 XDH (1.00) XDHHTR2BADORA3ADORA2ABRAF
SCHEMBL16147421 0.79 XDH (0.65) XDHADORA3ADORA2APDE4APDE4B
SCHEMBL164700 0.79 XDH (0.65) XDHCDK2CDK1PDPK1GDA

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
CN-108703970-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2018-10-26 — — CN 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 XDH 253/4885ADORA1 1262/4885HTR2B 4766/4885

“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.

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