SCHEMBL797231

SCHEMBL797231

c1nc(NC2CCCCC2)c2[nH]cnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 1.00
HTT P42858 3/20 1.00
PKM P14618 1/20 1.00
HSD17B10 Q99714 1/20 1.00
PAK1 Q13153 2/20 0.97
BTK Q06187 3/20 0.57
ADORA3 P0DMS8 9/20 0.56
ADORA2A P29274 6/20 0.54
ADORA1 P30542 6/20 0.54
ALDH1A1 P00352 1/20 0.53
HPGDS O60760 2/20 0.51
CDK1 P06493 1/20 0.50
CDK2 P24941 1/20 0.50

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
SCHEMBL9202451 0.98 HTT (1.00) LMNAHTTPKMHSD17B10PAK1
SCHEMBL9205088 0.95 HTT (0.94) LMNAHTTPKMHSD17B10PAK1
SCHEMBL797546 0.92 LMNA (0.88) LMNAHTTPKMHSD17B10PAK1
SCHEMBL30320047 0.91 LMNA (0.82) LMNAHTTPKMHSD17B10PAK1
SCHEMBL3451451 0.78 LMNA (0.63) LMNAHTTPKMHSD17B10PAK1
SCHEMBL16146912 0.78 LMNA (0.63) LMNAHTTPKMHSD17B10PAK1
SCHEMBL6643412 0.78 LMNA (0.65) LMNAHTTPKMHSD17B10PAK1
SCHEMBL1803031 0.78 LMNA (0.63) LMNAHTTPKMHSD17B10PAK1
SCHEMBL797051 0.78 LMNA (0.63) LMNAHTTPKMHSD17B10PAK1
SCHEMBL16146166 0.78 LMNA (0.63) 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 19 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
EP-1616034-A4 ACYL- PHOSPHATE AND PHOSPHONATE PROBES AND METHODS OF THEIR SYNTHESIS AND USE IN PROTEOMIC ANALYSIS ACTIVX BIOSCIENCES INC (US) 2008-12-03 EP claimed
EP-1616034-A2 ACYL- PHOSPHATE AND PHOSPHONATE PROBES AND METHODS OF THEIR SYNTHESIS AND USE IN PROTEOMIC ANALYSIS Activx Biosciences, Inc. (US) 2006-01-18 EP claimed
WO-2004090154-A2 ACYL- PHOSPHATE AND PHOSPHONATE PROBES AND METHODS OF THEIR SYNTHESIS AND USE IN PROTEOMIC ANALYSIS ACTIVX BIOSCIENCES, INC. (US) 2004-10-21 WO 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-11041207-B2 Method for predicting a subject's response to valproic acid therapy THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-06-22 US disclosed
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
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
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
EP-0286425-B1 Therapeutic nucleosides WELLCOME FOUND (GB) 1995-01-11 EP disclosed
US-5185437-A 6-substituted 2',3'-dideoxypurine nucleosides; treatment for human immunodeficiency virus and heptatis b virus BURROUGHS WELLCOME CO. (US) 1993-02-09 US disclosed
US-5068320-A 2-amino-6-(cyclopropylamino)purine-9-β-D-2',3'-dideoxyribofuranoside and its pharmaceutically acceptable salts BURROUGHS WELLCOME CO. (US) 1991-11-26 US disclosed
EP-0421819-A1 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1991-04-10 EP disclosed
EP-0286425-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1988-10-12 EP 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 (2 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 LMNA 599/4885HTT 3291/4885PKM 91/4885
US-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES PNP, TYMP, EIF2AK2 LMNA 3155/4885HTT 3727/4885PKM 1616/4885

“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.