SCHEMBL8014608

SCHEMBL8014608

Nc1nc(NCc2ccccc2)c2[nH]cnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 1.00
NUDT1 P36639 2/20 0.76
PDE4A P27815 1/20 0.71
PDE4B Q07343 1/20 0.71
PDE4C Q08493 1/20 0.71
PDE4D Q08499 1/20 0.71
CYP1A2 P05177 3/20 0.64
CYP2D6 P10635 3/20 0.64
CDK2 P24941 3/20 0.64
LMNA P02545 2/20 0.64
TSHR P16473 2/20 0.64
MAPK1 P28482 1/20 0.64
HDAC1 Q13547 1/20 0.64
PIN1 Q13526 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CCNB1 P14635 2/20 0.58
CCNA2 P20248 2/20 0.58
CYP2C19 P33261 2/20 0.58
CCNA1 P78396 2/20 0.58

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
SCHEMBL16145988 0.86 CDK1 (0.76) CDK1NUDT1PDE4APDE4BPDE4C
SCHEMBL17933838 0.86 NUDT1 (1.00) CDK1NUDT1PDE4APDE4BPDE4C
SCHEMBL16146406 0.86 CDK1 (0.76) CDK1NUDT1PDE4APDE4BPDE4C
SCHEMBL16145921 0.86 CDK1 (0.76) CDK1NUDT1PDE4APDE4BPDE4C
SCHEMBL16146426 0.86 CDK1 (0.76) CDK1NUDT1PDE4APDE4BPDE4C
SCHEMBL16147072 0.85 TMIGD3 (0.78) CDK1NUDT1PDE4APDE4BPDE4C
SCHEMBL30523361 0.85 CDK1 (0.73) CDK1NUDT1PDE4APDE4BPDE4C
SCHEMBL30523398 0.85 TMIGD3 (0.78) CDK1NUDT1PDE4APDE4BPDE4C
SCHEMBL16146972 0.85 CDK1 (0.73) CDK1NUDT1PDE4APDE4BPDE4C
SCHEMBL27587370 0.85 CDK1 (0.73) CDK1NUDT1PDE4APDE4BPDE4C

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 13 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-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
WO-2000033657-A1 METHOD TO IDENTIFY REGULATORS OF CDK ACTIVITY CROPDESIGN N.V. (BE) 2000-06-15 WO disclosed
EP-0417999-B1 Antiviral compounds WELLCOME FOUND (GB) 1996-03-13 EP disclosed
EP-0671410-A1 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1995-09-13 EP disclosed
US-5420115-A Method for the treatment of protoza infections with 21 -deoxy-21 -fluoropurine nucleosides BURROUGHS WELLCOME CO. (US) 1995-05-30 US 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-0417999-A1 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-03-20 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 (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 2235/4885NUDT1 1147/4885PDE4A 284/4885

“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.