SCHEMBL16146445

SCHEMBL16146445

CCCNc1nc(Br)nc2nc[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
ADORA3 P0DMS8 1/20 0.51
PRKACA P17612 3/20 0.50
NUDT1 P36639 1/20 0.45
XDH P47989 4/20 0.44
LMNA P02545 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
IP6K1 Q92551 1/20 0.42
MAPT P10636 1/20 0.41
CDK1 P06493 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL28004981 0.88 ADORA3 (0.49) HTTCYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL16146272 0.83 HTT (0.63) HTTCYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL16146796 0.83 HTT (0.63) HTTCYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL16146631 0.82 XDH (0.65) HTTCYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL16146108 0.82 HTT (0.61) HTTCYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL16146456 0.82 NUDT1 (0.65) HTTCYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL16145927 0.82 HTT (0.61) HTTCYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL16147011 0.82 HTT (0.61) HTTCYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL16146287 0.82 HTT (0.61) HTTCYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL16147421 0.79 XDH (0.65) HTTCYP3A4CYP1A2CYP2D6CYP2C19

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 6 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
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 HTT 3291/4885CYP3A4 4016/4885CYP1A2 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.