SCHEMBL2776453

SCHEMBL2776453

O=c1[nH]c(NCc2ccccc2)nc2nn[nH]c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.62
▸ HPGD P15428 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PI4KA P42356 2/20 0.50
▸ PI4K2B Q8TCG2 2/20 0.50
▸ PI4K2A Q9BTU6 2/20 0.50
▸ PI4KB Q9UBF8 2/20 0.50
▸ RECQL P46063 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ XDH P47989 1/20 0.48
▸ CLPP Q16740 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL6356976 0.78 PNP (0.70) PNPHPGDPKML3MBTL1PI4KA
SCHEMBL18251 0.78 PNP (0.62) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL3670393 0.78 PNP (0.70) PNPHPGDPKML3MBTL1PI4KA
SCHEMBL6359272 0.78 PNP (0.92) PNPHPGDPKML3MBTL1PI4KA
SCHEMBL3433598 0.77 PNP (0.68) PNPHPGDPKML3MBTL1PI4KA
SCHEMBL1394088 0.77 PNP (0.61) PNPPI4KAPI4K2BPI4K2API4KB
SCHEMBL3304711 0.77 PNP (0.60) PNPHPGDPKML3MBTL1PI4KA
SCHEMBL5798035 0.76 PNP (0.67) PNPHPGDPKML3MBTL1PI4KA
SCHEMBL6357236 0.75 PNP (0.65) PNPHPGDPKML3MBTL1PI4KA
Cyanide SCHEMBL2694132 0.75 PNP (0.58) PNPPI4KAPI4K2BPI4K2API4KB

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 60/4885HPGD 453/4885PKM 4617/4885
US-20070213279-A1 O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE INACTIVATORS AND BETA-GLUCURONIDASE CLEAVABLE PRODRUGS UNG, OGG1, MPG PNP 20/4885HPGD 547/4885PKM 4657/4885

“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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