SCHEMBL2776458

SCHEMBL2776458

Nc1nc2nn[nH]c2c(=O)n1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 3/20 0.52
▸ TLR7 Q9NYK1 9/20 0.45
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL6359276 0.80 PNP (0.64) PNPTLR7ADORA3ADORA2BKMT2A
SCHEMBL2776452 0.78 PNP (0.49) PNPTLR7PDE4APDE4BPDE4C
SCHEMBL18250 0.78 PNP (0.66) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL7663886 0.77 PNP (0.51) PNPTLR7ADORA3ADORA2BKMT2A
SCHEMBL3670395 0.77 PNP (0.51) PNPTLR7ADORA3ADORA2BPDE4A
SCHEMBL1980960 0.77 PNP (0.64) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL6356588 0.74 PNP (0.48) PNPTLR7KMT2AALDH1A1CYP3A4
SCHEMBL1715567 0.74 PNP (0.53) PNPTLR7ADORA3ADORA2BPDE4A
SCHEMBL3672657 0.74 PNP (0.53) PNPTLR7ADORA3ADORA2BKMT2A
SCHEMBL22631570 0.70 PNP (0.55) PNPADORA3ADORA2BPDE4APDE4B

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213279-A1 O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS AND BETA-GLUCURONIDASE CLEAVABLE PRODRUGS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE 2007-09-13 — — US claimed
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 claimed
US-7825096-B2 O6-alkylguanine-DNA alkyltransferase inactivators and beta-glucuronidase cleavable prodrugs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-02 — — US disclosed
EP-2134715-A2 O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS Government of the United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2009-12-23 — — EP disclosed
WO-2008109735-A2 O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-09-12 — — WO disclosed
US-20070213279-A1 O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS AND BETA-GLUCURONIDASE CLEAVABLE PRODRUGS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE 2007-09-13 — — US disclosed
EP-1807438-A1 BETA-GLUCURONIDASE CLEAVABLE PRODRUGS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS The Government of the United States of America, as repres. by the Secretary of Health and Human Services, Nat. Inst. of Health (US) 2007-07-18 — — EP disclosed
WO-2006029065-A1 BETA-GLUGURONIDASE CLEAVABLE PRODRUGS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS GOVERMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-03-16 — — WO 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
US-6436945-B2 FOR ENHANCING THE CHEMOTHERAPEUTIC TREATMENT OF TUMOR CELLS IN A MAMMAL WITH AN ANTINEOPLASTIC ALKYLATING AGENT, WHICH CAUSES CYTOTOXIC LESIONS AT THE O6-POSITION OF GUANINE; O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE (AGT) INACTIVATOR THE UNITED STATES OF AMERICA AS REPRESENTED BY THE OF HEALTH AND HUMAN SERVICES 2002-08-20 — — US disclosed
US-6436945-B2 FOR ENHANCING THE CHEMOTHERAPEUTIC TREATMENT OF TUMOR CELLS IN A MAMMAL WITH AN ANTINEOPLASTIC ALKYLATING AGENT, WHICH CAUSES CYTOTOXIC LESIONS AT THE O6-POSITION OF GUANINE; O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE (AGT) INACTIVATOR THE UNITED STATES OF AMERICA AS REPRESENTED BY THE OF HEALTH AND HUMAN SERVICES 2002-08-20 — — US disclosed
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 disclosed
US-6333331-B1 USEFUL IN INACTIVATING THE HUMAN DNA REPAIR PROTEIN O.SUP.6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE; ANTICANCER AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-12-25 — — 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
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 (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-20020013299-A1 Substituted O6-benzyl-8-aza-guanines OGG1, UNG, AGT PNP 60/4885TLR7 458/4885ADORA3 1845/4885
US-20070213279-A1 O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS AND BETA-GLUCURONIDASE CLEAVABLE PRODRUGS UNG, OGG1, MPG PNP 20/4885TLR7 2692/4885ADORA3 855/4885

“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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