SCHEMBL5084758

SCHEMBL5084758

Nc1nc2nc(Cc3cc(Br)cs3)[nH]c2c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNP P00491 12/20 0.67
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40

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
SCHEMBL4962855 0.81 PNP (1.00) PNPKDM4EFGFR1FGFR2
Hydrochloric Acid SCHEMBL17186372 0.80 PNP (0.97) PNPKDM4EFGFR1FGFR2
SCHEMBL4963414 0.80 PNP (0.64) PNPKDM4EMEN1ALDH1A1MAPT
SCHEMBL9960811 0.79 PNP (0.71) PNPKDM4EMEN1ALDH1A1MAPT
SCHEMBL4967481 0.78 PNP (0.65) PNPKDM4EMEN1ALDH1A1MAPT
SCHEMBL3310268 0.77 PNP (0.75) PNPFGFR1FGFR2
SCHEMBL5935062 0.75 PNP (0.70) PNPKDM4EMEN1ALDH1A1MAPT
SCHEMBL2097436 0.75 FGFR1 (0.52) PNPKDM4EMEN1ALDH1A1MAPT
SCHEMBL3300185 0.74 PNP (0.64) PNPKDM4EMEN1ALDH1A1MAPT
SCHEMBL9434519 0.74 PNP (0.64) PNPFGFR1FGFR2

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 26 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-20230045112-A1 DISULFIRAM AND OTHER REDOX-RELATED COMPOSITIONS FOR BRAIN TUMORS TEXAS TECH UNIVERSITY SYSTEM 2023-02-09 US disclosed
US-20160346231-A1 Disulfiram Compositions and Treatments for Brain Tumors TEXAS TECH UNIVERSITY SYSTEM 2016-12-01 US disclosed
WO-2015120254-A1 DISULFIRAM COMPOSITIONS AND TREATMENTS FOR BRAIN TUMORS TEXAS TECH UNIVERSITY SYSTEM (US) 2015-08-13 WO disclosed
EP-1838307-A1 METHODS OF USING TEMOZOLOMIDE FORMULATION INTRATHECALLY IN THE TREATMENT OF CANCERS SCHERING CORPORATION (US) 2007-10-03 EP 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
US-6096724-A O(6)-ALKYLGUANINE-DNA ALKYLTRANSFERASE (ATASE) ENZYME INHIBITORS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-08-01 US 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 (4 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 PNP 1267/4885KDM4E 1149/4885MEN1 3755/4885
US-20160346231-A1 Disulfiram Compositions and Treatments for Brain Tumors MGMT, NNMT, GNMT PNP 1264/4885KDM4E 618/4885MEN1 3310/4885
US-20230339991-A1 HYPOXIA-ACTIVATED DNA ALKYLATING AGENT AND MEDICAL USE THEREOF HIF1AN, HIF1A, MGMT PNP 146/4885KDM4E 901/4885MEN1 2607/4885
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG PNP 569/4885KDM4E 2277/4885MEN1 596/4885

“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.