SCHEMBL3021036

SCHEMBL3021036

Nc1nc2[nH]cnc2c(=O)n1Cc1ccc(CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNP P00491 5/20 0.44
KMT2A Q03164 3/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
KDM4E B2RXH2 3/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
MPO P05164 1/20 0.35
TPO P07202 1/20 0.35
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
RGS12 O14924 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TLR7 Q9NYK1 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
SCHEMBL3308556 0.88 PNP (0.45) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL1262618 0.88 PNP (0.45) PNPKMT2APDE4APDE4BPDE4C
SCHEMBL3310264 0.87 PNP (0.44) PNPKMT2APDE4APDE4BPDE4C
SCHEMBL1533545 0.87 MPO (0.48) PNPKMT2APDE4APDE4BPDE4C
SCHEMBL3303803 0.87 PNP (0.44) PNPKMT2APDE4APDE4BPDE4C
SCHEMBL18247 0.87 PNP (0.59) PNPKMT2APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL17186488 0.86 PNP (0.43) PNPKMT2APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL17186467 0.86 PNP (0.43) PNPKMT2APDE4APDE4BPDE4C
SCHEMBL4966454 0.86 PNP (0.45) PNPKMT2APDE4APDE4BPDE4C
SCHEMBL1980958 0.86 PNP (0.57) PNPKMT2APDE4APDE4BPDE4C

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 25 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-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
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
US-20180147178-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL AND DIACETYLDIANHYDROGALACTITOL DELMAR PHARMACEUTICALS INC (CA) 2018-05-31 US disclosed
US-20150297553-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL AND DIACETYLDIANHYDROGALACTITOL DEL MAR PHARMACEUTICALS (CA) 2015-10-22 US disclosed
US-20150182490-A1 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 (BC) LTD. (CA) 2015-07-02 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-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
US-8188055-B2 Inactivators of O6-alkylguanine-DNA alkyltransferase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-05-29 US disclosed
US-20100204172-A1 INACTIVATORS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-08-12 US disclosed
WO-2008137207-A2 INACTIVATORS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-11-13 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 (12 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 39/4885KMT2A 436/4885PDE4A 1810/4885
US-20100204172-A1 INACTIVATORS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AGT, UNG, DPYD PNP 113/4885KMT2A 1227/4885PDE4A 1931/4885
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 PNP 2087/4885KMT2A 534/4885PDE4A 1292/4885
US-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG PNP 560/4885KMT2A 330/4885PDE4A 2635/4885
US-20150182490-A1 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 WHR1, AIPL1, TDP1 PNP 2643/4885KMT2A 1263/4885PDE4A 2292/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 PNP 2352/4885KMT2A 1661/4885PDE4A 2040/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 PNP 2087/4885KMT2A 534/4885PDE4A 1292/4885
US-20180147178-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL AND DIACETYLDIANHYDROGALACTITOL DDOST, DAD1, B3GAT3 PNP 1702/4885KMT2A 3059/4885PDE4A 914/4885
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG PNP 569/4885KMT2A 349/4885PDE4A 2657/4885
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DDOST, DCLRE1A, OGG1 PNP 3016/4885KMT2A 1179/4885PDE4A 2535/4885
US-20150297553-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED HEXITOLS SUCH AS DIANHYDROGALACTITOL AND DIACETYLDIANHYDROGALACTITOL DDOST, DAD1, B3GAT3 PNP 1702/4885KMT2A 3059/4885PDE4A 914/4885
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 3939/4885KMT2A 1719/4885PDE4A 1467/4885

“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.