SCHEMBL16147159

SCHEMBL16147159

CC(C)CCNc1nc(N)c2nc[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 3/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MAPT P10636 3/20 0.36
▸ ADORA1 P30542 6/20 0.35
▸ ADORA2A P29274 5/20 0.35
▸ TMIGD3 P0DMS9 4/20 0.35
▸ ADORA2B P29275 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SLC29A1 Q99808 1/20 0.31

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
SCHEMBL23133115 0.92 CDK1 (0.43) CDK1CDK2CYP1A2MAPTADORA1
SCHEMBL16146292 0.85 ESR1 (0.44) CDK1CDK2MAPT
SCHEMBL16146951 0.84 ADORA2A (0.41) CDK1CDK2CYP1A2MAPTADORA1
SCHEMBL16146696 0.83 HTT (0.34) CYP1A2MAPTALDH1A1HTTTP53
SCHEMBL1146235 0.81 ADORA2A (0.44) CDK1CDK2CYP1A2ADORA1ADORA2A
SCHEMBL8009119 0.81 CDK1 (0.52) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL10047120 0.80 L3MBTL1 (0.38) CDK1CDK2CYP1A2ADORA1ADORA2A
SCHEMBL24207973 0.80 KCNH3 (0.41) CDK1CDK2ADORA1ADORA2ATMIGD3
SCHEMBL15185178 0.79 CDK1 (0.39) CDK1CDK2ADORA1ADORA2ATMIGD3
SCHEMBL16146635 0.79 XDH (0.42) CDK1CDK2MAPTADORA1ADORA2A

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 CDK1 2235/4885CDK2 1757/4885CYP1A2 2096/4885

“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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