SCHEMBL5084754

SCHEMBL5084754

Nc1nc2[nH]cnc2c(=O)n1Cc1cc(Br)cs1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGMT P16455 2/20 0.39
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PNP P00491 3/20 0.32

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
SCHEMBL4963405 0.82 MGMT (0.35) MGMTJAK2JAK1JAK3PNP
SCHEMBL5084763 0.81 MGMT (0.52) MGMTPNP
SCHEMBL4967475 0.80 MGMT (0.34) MGMTJAK2JAK1JAK3PNP
SCHEMBL4962851 0.80 PNP (0.53) TSHRHSD17B10PNP
SCHEMBL3310264 0.79 PNP (0.44) PNP
Hydrochloric Acid SCHEMBL17186370 0.79 PNP (0.52) TSHRHSD17B10PNP
Hydrochloric Acid SCHEMBL17186467 0.78 PNP (0.43) PNP
SCHEMBL5265317 0.78 ADRA1D (0.35) PNP
SCHEMBL9434507 0.77 PNP (0.35) JAK2JAK1JAK3HSD17B10PNP
SCHEMBL3300181 0.77 PNP (0.35) PNP

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 22 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
EP-1838307-A1 METHODS OF USING TEMOZOLOMIDE FORMULATION INTRATHECALLY IN THE TREATMENT OF CANCERS SCHERING CORPORATION (US) 2007-10-03 EP disclosed
US-20070155752-A1 2-Amino-o4-substituted pteridines and their use as inactivators of o6-alkylguanine-dna alkyltransferase Government of the United States of America, 2007-07-05 US disclosed
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 disclosed
US-20060292651-A1 Protein labelling with oº-alkylguanine-dna alkyltrnsferase ECOLE POLYTECHNIQUE FEDERAL DE LAUSANNE (EPFL) (CH) 2006-12-28 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 (3 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-20070155752-A1 2-Amino-o4-substituted pteridines and their use as inactivators of o6-alkylguanine-dna alkyltransferase DIMT1, DPYD, UNG MGMT 25/4885JAK2 4244/4885JAK1 4617/4885
US-20230339991-A1 HYPOXIA-ACTIVATED DNA ALKYLATING AGENT AND MEDICAL USE THEREOF HIF1AN, HIF1A, MGMT MGMT 3/4885JAK2 3569/4885JAK1 4758/4885
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG MGMT 1/4885JAK2 1308/4885JAK1 2627/4885

“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.