SCHEMBL5084763

SCHEMBL5084763

Nc1nc2nc[nH]c2c(=O)n1Cc1cc(Br)cs1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGMT P16455 1/20 0.52
PNP P00491 3/20 0.37
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
ADORA2A P29274 3/20 0.34
ADORA2B P29275 3/20 0.34
DPP4 P27487 1/20 0.34
PIN1 Q13526 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
BRAF P15056 1/20 0.33
PDPK1 O15530 1/20 0.33
GDA Q9Y2T3 1/20 0.33

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
SCHEMBL8728431 0.86 MGMT (0.46) MGMTPNPPDE4APDE4BPDE4C
SCHEMBL4963422 0.82 PNP (0.40) MGMTPNPPDE4APDE4BPDE4C
SCHEMBL5084754 0.81 MGMT (0.39) MGMTPNP
SCHEMBL4967495 0.80 PNP (0.38) MGMTPNPPDE4APDE4BPDE4C
SCHEMBL4962859 0.80 PDE4A (0.53) MGMTPNPPDE4APDE4BPDE4C
SCHEMBL3310277 0.79 PNP (0.50) PNPPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL18605981 0.79 PDE4A (0.53) MGMTPNPPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL17186468 0.78 PNP (0.49) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL21433943 0.78 PNP (0.49) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL2097440 0.78 MGMT (0.47) MGMTPNPDPP4PIN1CYP1A2

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 29 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
WO-2008109417-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2008-09-12 WO claimed
CN-1948313-A Preparation method of tiemoazoleamine-8-carboxylic acid water soluble derivative, anticancer activity and application in preparing anticancer medicine TIANJIN BEIFANG SCIENCE AND TE (CN) 2007-04-18 CN claimed
EP-1336602-A1 Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases Scaramuzzino, Giovanni (IT) 2003-08-20 EP claimed
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 claimed
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 claimed
EP-4319773-A1 MODIFICATION OF EPOR-ENCODING NUCLEIC ACIDS Ensoma, Inc. (US) 2024-02-14 EP disclosed
US-20230339991-A1 HYPOXIA-ACTIVATED DNA ALKYLATING AGENT AND MEDICAL USE THEREOF ASCENTAWITS PHARMACEUTICALS, LTD. (CN) 2023-10-26 US disclosed
WO-2023150393-A2 INHIBITOR-RESISTANT MGMT MODIFICATIONS AND MODIFICATION OF MGMT-ENCODING NUCLEIC ACIDS ENSOMA, INC. (US) 2023-08-10 WO disclosed
US-11679121-B2 Morpholino oligonucleotides useful in cancer treatment UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2023-06-20 US disclosed
US-20230045112-A1 DISULFIRAM AND OTHER REDOX-RELATED COMPOSITIONS FOR BRAIN TUMORS TEXAS TECH UNIVERSITY SYSTEM 2023-02-09 US disclosed
US-20210106608-A1 Morpholino Oligonucleotides Useful In Cancer Treatment OREGON HEALTH & SCIENCE UNIVERSITY 2021-04-15 US disclosed
US-10857174-B2 Morpholino oligonucleotides useful in cancer treatment UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2020-12-08 US disclosed
WO-2006060464-A1 METHODS OF USING TEMOZOLOMIDE FORMULATION INTRATHECALLY IN THE TREATMENT OF CANCERS SCHERING CORPORATION (US) 2006-06-08 WO disclosed
WO-2005068465-A1 2-AMINO-O4-SUBSTITUTED PTERIDINES AND THEIR USE AS INACTIVATORS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-07-28 WO disclosed
EP-1546370-A1 PROTEIN LABELLING WITH O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2005-06-29 EP disclosed
WO-2004031404-A1 PROTEIN LABELLING WITH O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2004-04-15 WO disclosed
EP-1336602-A1 Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases Scaramuzzino, Giovanni (IT) 2003-08-20 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20230045112-A1 DISULFIRAM AND OTHER REDOX-RELATED COMPOSITIONS FOR BRAIN TUMORS MGMT, SHMT2, SHMT1 MGMT 1/4885PNP 1267/4885PDE4A 2590/4885
US-20230339991-A1 HYPOXIA-ACTIVATED DNA ALKYLATING AGENT AND MEDICAL USE THEREOF HIF1AN, HIF1A, MGMT MGMT 3/4885PNP 146/4885PDE4A 1354/4885
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG MGMT 1/4885PNP 569/4885PDE4A 2657/4885
US-10857174-B2 Morpholino oligonucleotides useful in cancer treatment MGMT, MSH2, DCLRE1B MGMT 1/4885PNP 2147/4885PDE4A 3545/4885
US-20210106608-A1 Morpholino Oligonucleotides Useful In Cancer Treatment MGMT, MSH2, DCLRE1B MGMT 1/4885PNP 2147/4885PDE4A 3545/4885
US-11679121-B2 Morpholino oligonucleotides useful in cancer treatment MGMT, MSH2, DCLRE1B MGMT 1/4885PNP 2147/4885PDE4A 3545/4885

“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.