SCHEMBL4068099

SCHEMBL4068099

Cc1nc(N)nc(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 12/20 0.76
LMNA P02545 2/20 0.53
CDK1 P06493 2/20 0.51
CCNB1 P14635 2/20 0.51
CCNA2 P20248 2/20 0.51
CDK2 P24941 2/20 0.51
CCNA1 P78396 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
PIN1 Q13526 2/20 0.48
CYP3A4 P08684 2/20 0.46
MPO P05164 1/20 0.46
TPO P07202 1/20 0.46
EPX P11678 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL3309544 0.86 MGMT (1.00) MGMTLMNACDK1CCNB1CCNA2
SCHEMBL24542951 0.85 MGMT (0.59) MGMTLMNAL3MBTL1PIN1CYP1A2
SCHEMBL5039831 0.77 MGMT (0.65) MGMTCDK1CCNB1CCNA2CDK2
SCHEMBL311200 0.76 MGMT (0.64) MGMTLMNACDK1CCNB1CCNA2
SCHEMBL3305092 0.76 PIN1 (0.71) MGMTLMNACDK1CCNB1CCNA2
SCHEMBL6356857 0.74 MGMT (0.69) MGMTLMNA
SCHEMBL8564287 0.74 MGMT (0.61) MGMTLMNACDK1CCNB1CCNA2
SCHEMBL14027831 0.74 MGMT (0.54) MGMTLMNAL3MBTL1PIN1
SCHEMBL8567714 0.74 MGMT (0.61) MGMTLMNACDK1CCNB1CCNA2
SCHEMBL2234851 0.74 L3MBTL1 (0.56) MGMTLMNACDK1CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101380297-A Compound platinum medicine sustained-release agent JINAN SHUAIHUA PHARMACEUTICAL (CN) 2009-03-11 CN claimed
CN-101254170-A An anticancer sustained release injection carrying clorfarabine and its synergist JINAN KANGQUAN PHARMACEUTICAL (CN) 2008-09-03 CN claimed
CN-101244034-A Sustained-release agent containing taxone and its synergistic agent JINAN KANGQUAN PHARMACEUTICAL (CN) 2008-08-20 CN claimed
CN-100386115-C Anti-cancer medicine composition QINGZHONG KONG (CN) 2008-05-07 CN claimed
CN-101023922-A Anti-cancer sustained-release agent carrying glucocorticoid hormone and chemotherapeutic drug KANGQUAN MEDICINE SCIENCE TECH (CN) 2007-08-29 CN claimed
CN-101002730-A Compounding anticarcinogen containing neovascular-inhibitor SHUAIHUA MEDICAL TECH CO LTD J (CN) 2007-07-25 CN claimed
CN-1973823-A Anticancer composition containing Synergist SHANDONG LANJIN BIOENGINEERING (CN) 2007-06-06 CN claimed
CN-1969816-A Anticancer sustained-release agent containing epothilone JINAN SHUAIHUA MEDICAL TECHNOL (CN) 2007-05-30 CN claimed
CN-1957910-A Anti cancer controlled release formulation of containing consubstantial hydrolytic agent LANJIN BIOENGINEERING CO LTD S (CN) 2007-05-09 CN claimed
CN-1927174-A Anticancer slow release injection loading tetrazole violet and potentiating agent thereof JINAN SHUAIHUA PHARMACEUTICAL (CN) 2007-03-14 CN claimed
CN-1846687-A Slow-release agent containing taxane and synergist thereof JINAN KANGQUAN MEDICINE SCI TE (CN) 2006-10-18 CN claimed
CN-1846679-A Sustained-release injection containing methotrexate and synergist thereof JINAN SHUAIHUA MEDICINE SCI TE (CN) 2006-10-18 CN claimed
CN-1846673-A Slow-released anticancer medicine prepn containing pyrimidine medicine JINAN SHUAIHUA MEDICINE SCI TE (CN) 2006-10-18 CN claimed
CN-1733300-A Anticancer implantation agent KONG QINGZHONG (CN) 2006-02-15 CN claimed
CN-1628853-A Anti-cancer medicine composition KONG QINGZHONG (CN) 2005-06-22 CN claimed
EP-1142893-B1 Substituted 6(4)-benzyloxypyrimidines US HEALTH (US) 2004-12-29 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

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 MGMT 4/4885LMNA 2790/4885CDK1 1854/4885

“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.