SCHEMBL16146331

SCHEMBL16146331

Oc1nc(Cl)c2[nH]cnc2n1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.61
XDH P47989 1/20 0.43
PDPK1 O15530 1/20 0.41
GDA Q9Y2T3 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
POLA1 P09884 1/20 0.40
CDK2 P24941 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PNP P00491 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MAP3K5 Q99683 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
SCHEMBL37384 0.79 DPP4 (0.66) DPP4XDHPDPK1GDAADORA3
Xanthine SCHEMBL9443819 0.79 GDA (0.44) DPP4XDHPDPK1GDAADORA3
Xanthine SCHEMBL4966 0.79 GDA (0.44) DPP4XDHPDPK1GDAADORA3
Hydrochloric Acid SCHEMBL4763244 0.78 DPP4 (0.63) DPP4XDHPDPK1GDAADORA3
Xanthine SCHEMBL7044234 0.78 GDA (0.42) DPP4XDHPDPK1GDAADORA3
SCHEMBL8719273 0.78 DPP4 (0.63) DPP4XDHPDPK1GDAADORA3
SCHEMBL11456967 0.78 DPP4 (0.63) DPP4XDHPDPK1GDAADORA3
Isoguanine SCHEMBL29569323 0.76 PDPK1 (0.66) DPP4XDHPDPK1GDAPOLA1
SCHEMBL833645 0.76 GDA (0.41) DPP4XDHPDPK1GDAADORA3
SCHEMBL9465644 0.76 GDA (0.41) DPP4XDHPDPK1GDAADORA3

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
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
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 DPP4 624/4885XDH 253/4885PDPK1 281/4885

“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.