SCHEMBL3308563

SCHEMBL3308563

Nc1nc2nc[nH]c2c(=O)n1Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.51
TRPA1 O75762 1/20 0.47
ADORA3 P0DMS8 2/20 0.44
ADORA2B P29275 1/20 0.44
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
TNF P01375 1/20 0.44
CXCL8 P10145 1/20 0.44
SOS1 Q07889 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.43
DPP4 P27487 1/20 0.43
ACP1 P24666 1/20 0.43
MPO P05164 1/20 0.41
TPO P07202 1/20 0.41
AKT2 P31751 1/20 0.41

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
SCHEMBL1262627 0.90 PNP (0.51) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL3021043 0.88 PNP (0.50) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL3310277 0.88 PNP (0.50) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL1533551 0.88 MPO (0.54) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL3303816 0.88 KDM4E (0.51) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL18250 0.88 PNP (0.66) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL8145522 0.88 HSP90B1 (0.49) PNPADORA3ADORA2BPDE4APDE4B
SCHEMBL3303773 0.88 PNP (0.47) PNPADORA3ADORA2BPDE4APDE4B
Hydrochloric Acid SCHEMBL17186468 0.87 PNP (0.49) PNPADORA3ADORA2BPDE4APDE4B
Hydrochloric Acid SCHEMBL18605970 0.87 KDM4E (0.50) PNPADORA3ADORA2BPDE4APDE4B

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 33 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
US-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2023-05-04 US disclosed
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2021-08-19 US disclosed
US-11026914-B2 Use of dianhydrogalactitol and analogs and derivatives thereof to treat recurrent malignant glioma or progressive secondary brain tumor DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2021-06-08 US disclosed
CN-112755193-A Method of treating malignancies with anti-tyrosine kinase inhibitors using dianhydrogalactitol or a derivative thereof 德玛医药 2021-05-07 CN disclosed
EP-2872161-B1 DIANHYDROGALACTITOL FOR USE IN TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS DEL MAR PHARMACEUTICALS (CA) 2020-12-16 EP disclosed
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-20 US disclosed
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-13 US disclosed
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DEL MAR PHARMACEUTICALS (CA) 2019-03-28 US disclosed
EP-2872161-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF Del Mar Pharmaceuticals (CA) 2015-05-20 EP disclosed
WO-2014194312-A2 USE OF DIANHYDROGALACTITOL AND ANALOGS AND DERIVATIVES THEREOF TO TREAT RECURRENT MALIGNANT GLIOMA OR PROGRESSIVE SECONDARY BRIAN TUMOR DEL MAR PHARMACEUTICALS (CA) 2014-12-04 WO disclosed
WO-2014168986-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2014-10-16 WO disclosed
WO-2014004376-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF DEL MAR PHARMACEUTICALS (CA) 2014-01-03 WO disclosed
WO-2001085221-A2 ASSESSING LEVELS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE IN VIVO DUKE UNIVERSITY (US) 2001-11-15 WO disclosed
EP-0523100-B1 O6 -BENZYLATED GUANINE, GUANOSINE AND 2'-DEOXYGUANOSINE COMPOUNDS POSSESSING O6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPLETING ACTIVITY US HEALTH (US) 1996-08-28 EP disclosed
EP-0523100-A4 O?6 -BENZYLATED GUANINE, GUANOSINE AND 2'-DEOXYGUANOSINE COMPOUNDS POSSESSING O?6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPLETING ACTIVITY US HEALTH (US) 1993-03-17 EP disclosed
EP-0523100-A1 O?6 -BENZYLATED GUANINE, GUANOSINE AND 2'-DEOXYGUANOSINE COMPOUNDS POSSESSING O?6 -ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPLETING ACTIVITY. US HEALTH (US) 1993-01-20 EP disclosed
WO-1991013898-A1 O6-BENZYLATED GUANINE, GUANOSINE AND 2'-DEOXYGUANOSINE COMPOUNDS POSSESSING O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPLETING ACTIVITY THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1991-09-19 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 (8 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 PNP 39/4885TRPA1 4875/4885ADORA3 925/4885
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 PNP 2087/4885TRPA1 4788/4885ADORA3 2445/4885
US-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG PNP 560/4885TRPA1 4854/4885ADORA3 4504/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 PNP 2352/4885TRPA1 4707/4885ADORA3 3360/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 PNP 2087/4885TRPA1 4788/4885ADORA3 2445/4885
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG PNP 569/4885TRPA1 4854/4885ADORA3 4486/4885
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DDOST, DCLRE1A, OGG1 PNP 3016/4885TRPA1 4883/4885ADORA3 3001/4885
US-11026914-B2 Use of dianhydrogalactitol and analogs and derivatives thereof to treat recurrent malignant glioma or progressive secondary brain tumor DDOST, DAD1, PHGDH PNP 3939/4885TRPA1 4871/4885ADORA3 3005/4885

“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.