SCHEMBL16147088

SCHEMBL16147088

CCCc1nc(NCC)c2[nH]cnc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ADORA3 P0DMS8 4/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ SYK P43405 1/20 0.49
▸ PDE4A P27815 1/20 0.49
▸ PDE4B Q07343 1/20 0.49
▸ PDE4C Q08493 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ XDH P47989 4/20 0.44
▸ NUDT1 P36639 1/20 0.44
▸ CDK1 P06493 2/20 0.43
▸ CCNB2 O95067 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CCNA1 P78396 1/20 0.43

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
SCHEMBL16146287 0.91 HTT (0.61) CYP1A2CYP3A4CYP2D6CYP2C19ADORA3
SCHEMBL10408919 0.89 ADORA3 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19ADORA3
SCHEMBL16146556 0.87 XDH (0.59) CYP1A2CYP3A4CYP2D6CYP2C19ADORA3
SCHEMBL30523393 0.83 CYP1A2 (0.62) CYP1A2CYP3A4CYP2D6CYP2C19ADORA3
SCHEMBL16145818 0.83 PDE4A (0.74) CYP1A2CYP2D6ADORA3PDE4APDE4B
SCHEMBL1808629 0.83 ADORA3 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19ADORA3
SCHEMBL16146881 0.82 ADORA3 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19ADORA3
SCHEMBL16146386 0.82 ADORA3 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19ADORA3
SCHEMBL16146714 0.81 GDA (0.50) CYP1A2CYP3A4CYP2D6CYP2C19HTT
SCHEMBL16147021 0.81 CDK1 (0.63) NUDT1CDK1CCNB1CCNA2CDK2

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-108703970-A Compound for activating AMPK and application thereof 华安医学股份有限公司 2018-10-26 — — 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 CYP1A2 2096/4885CYP3A4 4016/4885CYP2D6 4390/4885

“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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