SCHEMBL3309544

SCHEMBL3309544

Nc1nc(N)c([N+](=O)[O-])c(OCc2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 13/20 1.00
CCNA2 P20248 3/20 0.60
CDK2 P24941 3/20 0.60
CCNA1 P78396 3/20 0.60
CDK1 P06493 2/20 0.60
CCNB1 P14635 2/20 0.60
PIN1 Q13526 2/20 0.50
CYP3A4 P08684 2/20 0.48
LMNA P02545 2/20 0.48
MPO P05164 1/20 0.48
TPO P07202 1/20 0.48
EPX P11678 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
CYP2C19 P33261 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48

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
SCHEMBL4068099 0.86 MGMT (0.76) MGMTCCNA2CDK2CCNA1CDK1
SCHEMBL6356857 0.82 MGMT (0.69) MGMTLMNAMAPT
SCHEMBL5039831 0.80 MGMT (0.65) MGMTCCNA2CDK2CCNA1CDK1
SCHEMBL8507246 0.79 MGMT (0.65) MGMTCCNA2CDK2CCNA1CDK1
SCHEMBL311200 0.78 MGMT (0.64) MGMTCCNA2CDK2CCNA1CDK1
SCHEMBL3305092 0.78 PIN1 (0.71) MGMTCCNA2CDK2CCNA1CDK1
Pyrimidine SCHEMBL6431067 0.77 MGMT (0.63) MGMTLMNAMAPT
SCHEMBL3338311 0.77 MGMT (0.68) MGMTCCNA2CDK2CCNA1CDK1
SCHEMBL8722332 0.77 MGMT (0.63) MGMTCCNA2CDK2CCNA1CYP3A4
SCHEMBL6358672 0.76 MGMT (0.66) MGMTCCNA2CDK2CCNA1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS CASE WESTERN RESERVE UNIVERSITY 2014-10-02 US claimed
US-8791081-B2 MGMT inhibitor combination for the treatment of neoplastic disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-07-29 US claimed
US-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS LIU LILI 2010-04-15 US claimed
WO-2008109417-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2008-09-12 WO claimed
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2025-10-09 US disclosed
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2025-06-24 US disclosed
US-20250135039-A1 INHIBITOR-RESISTANT MGMT MODIFICATIONS AND MODIFICATION OF MGMT-ENCODING NUCLEIC ACIDS FRED HUTCHINSON CANCER CENTER 2025-05-01 US disclosed
EP-4476331-A2 INHIBITOR-RESISTANT MGMT MODIFICATIONS AND MODIFICATION OF MGMT-ENCODING NUCLEIC ACIDS Ensoma, Inc. (US) 2024-12-18 EP disclosed
US-20240368582-A1 MODIFICATION OF EPOR-ENCODING NUCLEIC ACIDS ENSOMA, INC. 2024-11-07 US disclosed
EP-4319773-A1 MODIFICATION OF EPOR-ENCODING NUCLEIC ACIDS Ensoma, Inc. (US) 2024-02-14 EP disclosed
WO-2023150393-A2 INHIBITOR-RESISTANT MGMT MODIFICATIONS AND MODIFICATION OF MGMT-ENCODING NUCLEIC ACIDS ENSOMA, INC. (US) 2023-08-10 WO disclosed
US-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2023-05-04 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
WO-1999025386-A1 delta-O6-METHYLGUANINE-DNA METHYLTRANSFERASE GENE TRANSFER FOR O6-BENZYLGUANINE AND (N,N'-BIS(2-CHLOROETHYL)-N-NITROSOUREA) RESISTANCE CASE WESTERN RESERVE UNIVERSITY (US) 1999-05-27 WO disclosed
EP-0874848-A1 PYRIMIDINE DERIVATIVES AND GUANINE DERIVATIVES, AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-11-04 EP 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
WO-1997020843-A1 PYRIMIDINE DERIVATIVES AND GUANINE DERIVATIVES, AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-06-12 WO 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 (5 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-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT MGMT 6/4885CCNA2 830/4885CDK2 1566/4885
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT MGMT 6/4885CCNA2 830/4885CDK2 1566/4885
US-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG MGMT 1/4885CCNA2 265/4885CDK2 292/4885
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG MGMT 1/4885CCNA2 259/4885CDK2 305/4885
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT MGMT 6/4885CCNA2 830/4885CDK2 1566/4885

“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.