SCHEMBL5694220

SCHEMBL5694220

CC(=O)Nc1nc(Cl)nc2nc[nH]c12

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.65
▸ GDA Q9Y2T3 1/20 0.54
▸ BRAF P15056 1/20 0.49
▸ TNNI3K Q59H18 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TMIGD3 P0DMS9 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ SRC P12931 2/20 0.45

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
SCHEMBL31506448 0.83 GDA (0.55) XDHGDABRAFSRC
SCHEMBL750335 0.83 GDA (0.55) XDHGDABRAFSRC
SCHEMBL16146528 0.83 GDA (0.55) XDHGDABRAFSRC
SCHEMBL5694222 0.83 GDA (0.55) XDHGDABRAFTNNI3KSRC
SCHEMBL16146679 0.83 GDA (0.55) XDHGDABRAFSMN1; SMN2SRC
SCHEMBL16145715 0.82 GDA (0.54) XDHGDABRAFSMN1; SMN2SRC
SCHEMBL16146215 0.82 GDA (0.54) XDHGDABRAFHTR2BSRC
SCHEMBL16146643 0.82 MGMT (0.55) GDABRAF
SCHEMBL16146725 0.82 GDA (0.54) XDHGDABRAFSMN1; SMN2SRC
SCHEMBL16145843 0.81 GDA (0.52) XDHGDABRAFSMN1; SMN2SRC

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 — — CN 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 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
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-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
CN-104447746-A Compound for activating AMPK and application thereof HUAAN MEDICAL CO LTD 2015-03-25 — — 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
US-20060167241-A1 Method for synthesizing cyclic bisdinucleoside MITSUI CHEMICALS, INC. (JP) 2006-07-27 — — US disclosed
EP-1645561-A1 METHOD OF SYNTHESIZING CYCLIC BISDINUCLEOSIDE Mitsui Chemicals, Inc. (JP) 2006-04-12 — — EP 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 (2 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 253/4885GDA 1170/4885BRAF 1974/4885
US-20060167241-A1 Method for synthesizing cyclic bisdinucleoside NSUN2, POLR2H, POLB XDH 998/4885GDA 716/4885BRAF 1109/4885

“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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