SCHEMBL16146399

SCHEMBL16146399

CCCc1nc(O)c2[nH]cnc2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 5/20 0.41
▸ CCNB1 P14635 5/20 0.41
▸ CCNA2 P20248 4/20 0.41
▸ CDK2 P24941 4/20 0.41
▸ CCNA1 P78396 4/20 0.41
▸ PIN1 Q13526 1/20 0.40
▸ ADORA3 P0DMS8 3/20 0.39
▸ ADORA2A P29274 3/20 0.39
▸ XDH P47989 6/20 0.38
▸ MGMT P16455 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 2/20 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
SCHEMBL5466587 0.90 ADORA3 (0.46) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL11133893 0.86 CDK1 (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL215054 0.80 PDPK1 (0.56) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL29514836 0.80 PDPK1 (0.56) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16146779 0.80 CDK1 (0.41) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL28770511 0.79 PDPK1 (0.42) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16146556 0.79 XDH (0.59) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16147088 0.79 CYP1A2 (0.51) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16146287 0.76 HTT (0.61) ADORA3XDHCYP1A2CYP3A4CYP2D6
SCHEMBL16146714 0.76 GDA (0.50) XDHMGMTCYP1A2CYP3A4CYP2D6

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 CDK1 2235/4885CCNB1 3655/4885CCNA2 3012/4885

“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.

Send feedback