SCHEMBL6358016

SCHEMBL6358016

O=c1[nH]c(=O)c2[nH]c(Cc3ccccc3)nc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.57
ADORA2B P29275 1/20 0.56
XDH P47989 2/20 0.56
KMT2A Q03164 1/20 0.53
DAO P14920 1/20 0.51
RNASEH1 O60930 2/20 0.48
TYMP P19971 1/20 0.46
GAA P10253 1/20 0.45
HTR2C P28335 1/20 0.45
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL7035603 0.86 ADORA2B (0.55) PNPADORA2BXDHKMT2ADAO
SCHEMBL13735423 0.79 KMT2A (0.45) PNPADORA2BXDHKMT2AMAPT
SCHEMBL5677631 0.79 PNP (0.80) PNPKMT2ADAORNASEH1GAA
SCHEMBL985622 0.77 ADORA2B (0.51) ADORA2BXDHKMT2AMAPT
SCHEMBL31336166 0.77 ADORA2B (0.51) PNPADORA2BXDHKMT2ARNASEH1
Hydrochloric Acid SCHEMBL8649625 0.76 VNN1 (0.42) PNPADORA2BKMT2AGAAMAPT
SCHEMBL3433598 0.75 PNP (0.68) PNPXDHKMT2APKM
SCHEMBL3304711 0.74 PNP (0.60) PNPADORA2BXDHKMT2APKM
SCHEMBL9172603 0.73 XDH (0.45) PNPADORA2BXDHDAORNASEH1
SCHEMBL380136 0.73 MAPT (0.48) ADORA2BXDHMAPT

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1518854-A1 Substituted 06- benzylguanines and 7- or 9- substituted 8-aza-06-benzylguanines THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 2005-03-30 EP claimed
US-20020013299-A1 Substituted O6-benzyl-8-aza-guanines THE GOVERNMENT OF THE UNITED STATES OF AMERICA, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-01-31 US claimed
EP-1142893-A1 Substituted O6-benzylguanines and 6(4)-benzyloxypyrimidines THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 2001-10-10 EP claimed
EP-0775142-A1 SUBSTITUTED O6 -BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1997-05-28 EP claimed
WO-1996004281-A1 SUBSTITUTED O6-BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-02-15 WO claimed
CN-102993203-A Preparation of 8-benzyl xanthine derivative and application WENZHOU MEDICAL COLLEGE 2013-03-27 CN disclosed
CN-102993203-A Preparation of 8-benzyl xanthine derivative and application WENZHOU MEDICAL COLLEGE 2013-03-27 CN disclosed
EP-1518854-A1 Substituted 06- benzylguanines and 7- or 9- substituted 8-aza-06-benzylguanines THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 2005-03-30 EP disclosed
EP-1372411-A1 LOW GLYCEMIC RESPONSE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2004-01-02 EP disclosed
EP-1322184-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND DEFINED VITAMINS THE PROCTER & GAMBLE COMPANY (US) 2003-07-02 EP disclosed
EP-1322185-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND MINERAL SUPPLEMENT THE PROCTER & GAMBLE COMPANY (US) 2003-07-02 EP disclosed
EP-1289510-A2 COMPOSITIONS, KITS, AND METHODS FOR PROMOTING DEFINED HEALTH BENEFITS THE PROCTER & GAMBLE COMPANY (US) 2003-03-12 EP disclosed
WO-2001093847-A2 COMPOSITIONS, KITS, AND METHODS FOR PROMOTING DEFINED HEALTH BENEFITS THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093831-A2 LOW CARBOHYDRATE COMPOSITIONS, KITS THEREOF, AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
EP-0775142-B1 SUBSTITUTED O6 -BENZYLGUANINES US HEALTH (US) 2001-10-24 EP disclosed
US-6303604-B1 USED AS ANTINEOPLASTIC ALKYLATING AGENT WHICH CAUSES CYTOTOXIC LESIONS AT THE O.SUP.6-POSITION OF QUANINE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-10-16 US disclosed
EP-1142893-A1 Substituted O6-benzylguanines and 6(4)-benzyloxypyrimidines THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 2001-10-10 EP disclosed
US-6172070-B1 IN POLYOXYETHYLENE GLYCOL CARRIER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-01-09 US disclosed
EP-0775142-A1 SUBSTITUTED O6 -BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1997-05-28 EP disclosed
WO-1996004281-A1 SUBSTITUTED O6-BENZYLGUANINES AND 6(4)-BENZYLOXYPYRIMIDINES THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-02-15 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 (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-20020013299-A1 Substituted O6-benzyl-8-aza-guanines OGG1, UNG, AGT PNP 60/4885ADORA2B 1358/4885XDH 426/4885

“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.