SCHEMBL16146631

SCHEMBL16146631

CCCNc1nc(Cl)nc2nc[nH]c12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.65
HTT P42858 1/20 0.61
ADORA3 P0DMS8 2/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
TMIGD3 P0DMS9 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
NUDT1 P36639 1/20 0.45
DRD1 P21728 1/20 0.44

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
SCHEMBL7110910 0.88 XDH (0.69) XDHADORA3CYP1A2CYP3A4CYP2D6
SCHEMBL29444888 0.84 XDH (0.64) XDHHTTADORA3CYP1A2CYP3A4
SCHEMBL28252065 0.84 XDH (0.64) XDHHTTADORA3CYP1A2CYP3A4
SCHEMBL16146272 0.83 HTT (0.63) XDHHTTADORA3CYP1A2CYP3A4
SCHEMBL16146796 0.83 HTT (0.63) XDHHTTADORA3CYP1A2CYP3A4
SCHEMBL16145927 0.82 HTT (0.61) XDHHTTADORA3CYP1A2CYP3A4
SCHEMBL16146445 0.82 HTT (0.61) XDHHTTADORA3CYP1A2CYP3A4
SCHEMBL16147011 0.82 HTT (0.61) XDHHTTADORA3CYP1A2CYP3A4
SCHEMBL16146287 0.82 HTT (0.61) XDHHTTADORA3CYP1A2CYP3A4
SCHEMBL16146108 0.82 HTT (0.61) XDHHTTADORA3CYP1A2CYP3A4

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 7 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

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 253/4885HTT 3291/4885ADORA3 1280/4885

“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.