SCHEMBL6356987

SCHEMBL6356987

Nc1nc(Cl)c2[nH]c(N)nc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.54
DPP4 P27487 1/20 0.50
THRB P10828 2/20 0.35
NUDT1 P36639 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
HBB P68871 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL10617985 0.83 PNP (0.48) PNPDPP4THRBNUDT1KDM4E
SCHEMBL3158628 0.83 DPP4 (0.50) PNPDPP4NUDT1ADORA2AADORA1
SCHEMBL8080150 0.80 DPP4 (0.44) PNPDPP4NUDT1ADORA2AADORA1
SCHEMBL6358281 0.79 NUDT1 (0.58) PNPDPP4NUDT1ADORA2AADORA1
SCHEMBL3396382 0.77 PNP (0.52) PNP
SCHEMBL6358729 0.75 DPP4 (0.43) DPP4KDM4EMEN1ALDH1A1MAPT
SCHEMBL6363421 0.75 DPP4 (0.43) DPP4NUDT1ADORA2AADORA1ALDH1A1
SCHEMBL6424961 0.74 PNP (0.48) PNPNUDT1KDM4EALDH1A1FGFR1
8-Aminoguanine SCHEMBL27531531 0.74 PNP (0.48) PNPTHRBNUDT1KDM4EMEN1
SCHEMBL2098711 0.71 DPP4 (0.44) PNPDPP4

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
CN-100531718-C Slow-released injection containing methotrexate synergist JINAN SHUAIHUA MEDICINE SCI TE (CN) 2009-08-26 CN disclosed
CN-1679951-A Medicinal composition for tumor body LANJIN BIOLOG ENGINEERING CO L (CN) 2005-10-12 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
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-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
US-5958932-A ANTITUMOR AGENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-09-28 US disclosed
US-5916894-A Substituted 06-benzylguanines and 6(4)-benzyloxypyrimidines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-06-29 US disclosed
US-5753668-A Substituted benzyloxypyrimidines and their inactivation of O6 -alkylguanine-DNA alkyltransferase THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-05-19 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
US-5525606-A CHEMOTHERAPEUTIC ANTITUMOR AGENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-06-11 US 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 60/4885DPP4 2190/4885THRB 2108/4885

“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.