SCHEMBL797050

SCHEMBL797050

Nc1nc(NC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHUK O15111 2/20 0.52
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PAK1 Q13153 2/20 0.44
ADORA3 P0DMS8 7/20 0.43
ADORA2A P29274 5/20 0.43
ADORA1 P30542 5/20 0.43
NUDT1 P36639 1/20 0.42
HPGDS O60760 1/20 0.41
ALDH1A1 P00352 1/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39

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
SCHEMBL7621597 0.98 CHUK (0.50) CHUKLMNAHTTPKMHSD17B10
SCHEMBL7626873 0.95 CHUK (0.47) CHUKLMNAHTTPKMHSD17B10
SCHEMBL133156 0.92 CHUK (0.45) CHUKLMNAHTTPKMHSD17B10
SCHEMBL30590050 0.92 CHUK (0.45) CHUKLMNAHTTPKMHSD17B10
Hydrochloric Acid SCHEMBL8971259 0.91 CHUK (0.44) CHUKLMNAHTTPKMHSD17B10
SCHEMBL5442344 0.82 KMT2A (0.51) LMNAHTTPKMHSD17B10PAK1
SCHEMBL16146752 0.82 LMNA (0.47) LMNAHTTPKMHSD17B10PAK1
SCHEMBL16146719 0.82 LMNA (0.47) CHUKLMNAHTTPKMHSD17B10
SCHEMBL1803029 0.82 LMNA (0.47) LMNAHTTPKMHSD17B10PAK1
SCHEMBL5439050 0.82 KMT2A (0.51) LMNAHTTPKMHSD17B10PAK1

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 12 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-10711002-B2 Purine compounds and method for the treatment of cancer THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-07-14 US disclosed
US-10711002-B2 Purine compounds and method for the treatment of cancer THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-07-14 US disclosed
US-20190119279-A1 PURINE COMPOUNDS AND METHOD FOR THE TREATMENT OF CANCER THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-04-25 US disclosed
US-20190119279-A1 PURINE COMPOUNDS AND METHOD FOR THE TREATMENT OF CANCER THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-04-25 US 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
WO-2017181285-A1 PURINE COMPOUNDS AND METHOD FOR THE TREATMENT OF CANCER THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-10-26 WO disclosed
WO-2017181285-A1 PURINE COMPOUNDS AND METHOD FOR THE TREATMENT OF CANCER THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-10-26 WO 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
US-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-09-05 US disclosed
EP-2616474-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES Centre National De La Recherche Scientifique (FR) 2013-07-24 EP disclosed
WO-2012034719-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-22 WO 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 (4 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 CHUK 426/4885LMNA 599/4885HTT 3291/4885
US-10711002-B2 Purine compounds and method for the treatment of cancer PNP, NUDT1, HPRT1 CHUK 516/4885LMNA 3041/4885HTT 4707/4885
US-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES PNP, TYMP, EIF2AK2 CHUK 1599/4885LMNA 3155/4885HTT 3727/4885
US-20190119279-A1 PURINE COMPOUNDS AND METHOD FOR THE TREATMENT OF CANCER PNP, NUDT1, HPRT1 CHUK 516/4885LMNA 3041/4885HTT 4707/4885

“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.