SCHEMBL16146458

SCHEMBL16146458

Oc1nc(I)nc2nc[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.47
ADORA1 P30542 3/20 0.43
HTR2B P41595 1/20 0.43
GDA Q9Y2T3 2/20 0.41
PDPK1 O15530 1/20 0.41
DPP4 P27487 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PNP P00491 1/20 0.38
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
XDH P47989 2/20 0.36
MAP3K5 Q99683 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
BRAF P15056 1/20 0.35
LMNA P02545 1/20 0.34
DRD3 P35462 1/20 0.34

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
Xanthine SCHEMBL4966 0.79 GDA (0.44) CDK2ADORA1GDAPDPK1DPP4
Xanthine SCHEMBL9443819 0.79 GDA (0.44) CDK2ADORA1GDAPDPK1DPP4
SCHEMBL532461 0.79 CDK2 (0.66) CDK2ADORA1HTR2BGDAPDPK1
Xanthine SCHEMBL7044234 0.78 GDA (0.42) CDK2ADORA1GDAPDPK1DPP4
SCHEMBL378320 0.77 CDK2 (0.44) CDK2ADORA1GDAPDPK1DPP4
SCHEMBL2352414 0.76 DPP4 (0.61) CDK2ADORA1HTR2BGDAPDPK1
SCHEMBL842438 0.76 PDPK1 (0.66) CDK2ADORA1HTR2BGDAPDPK1
SCHEMBL1724116 0.76 GDA (0.41) CDK2ADORA1GDAPDPK1DPP4
SCHEMBL16147074 0.76 CDK2 (0.47) CDK2ADORA1HTR2BGDAPDPK1
SCHEMBL1009011 0.76 XDH (0.56) CDK2HTR2BGDAPDPK1DPP4

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
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
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 CDK2 1757/4885ADORA1 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.