SCHEMBL16145960

SCHEMBL16145960

CNc1nc(S)nc2nc[nH]c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.65
▸ ADORA3 P0DMS8 2/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 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 2/20 0.38
▸ HIF1A Q16665 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAP3K5 Q99683 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL16146783 0.82 XDH (0.65) XDHADORA3ADORA2APDE4APDE4B
SCHEMBL16145920 0.81 ADORA3 (0.49) XDHADORA3PDE4APDE4BPDE4C
SCHEMBL30523428 0.80 XDH (0.67) XDHADORA3ADORA2APDE4APDE4B
SCHEMBL20565 0.80 XDH (0.67) XDHADORA3ADORA2APDE4APDE4B
SCHEMBL11876697 0.80 XDH (0.67) XDHADORA3ADORA2APDE4APDE4B
SCHEMBL16145715 0.79 GDA (0.54) XDHCYP1A2GDABRAFHIF1A
SCHEMBL16146988 0.79 XDH (0.65) XDHADORA3ADORA2APDE4APDE4B
SCHEMBL1996891 0.79 XDH (1.00) XDHADORA3ADORA2ABRAF
SCHEMBL164700 0.79 XDH (0.65) XDHPDPK1GDABRAFMAP3K5
SCHEMBL16147520 0.79 XDH (0.65) XDHADORA3ADORA2APDE4APDE4B

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 XDH 253/4885ADORA3 1280/4885ADORA2A 511/4885

“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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