SCHEMBL3310029

SCHEMBL3310029

Nc1nc2nc[nH]c2c(=O)n1-c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.46
PIN1 Q13526 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PNP P00491 1/20 0.41
DPP4 P27487 1/20 0.39
MAPK1 P28482 1/20 0.37
PDPK1 O15530 1/20 0.37
GDA Q9Y2T3 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
BRAF P15056 1/20 0.36
SRC P12931 2/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
CDK2 P24941 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL1286947 0.86 MAPK1 (0.51) HCAR1PIN1CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL21799343 0.84 MAPK1 (0.50) HCAR1PIN1CYP1A2CYP3A4CYP2C19
SCHEMBL1286944 0.80 PNP (0.38) PNPDPP4MAPK1LMNAGAA
SCHEMBL2097440 0.78 MGMT (0.47) PIN1CYP1A2CYP3A4CYP2C19PNP
SCHEMBL3310016 0.78 HCAR1 (0.46) HCAR1MAPK1LMNAGAAMAPT
SCHEMBL3310277 0.77 PNP (0.50) PIN1CYP1A2CYP3A4CYP2C19PNP
SCHEMBL27881956 0.77 PDE4A (0.41) PNPDPP4MAPK1MAPTPDE4A
Hydrochloric Acid SCHEMBL17186468 0.76 PNP (0.49) PIN1CYP1A2CYP3A4CYP2C19PNP
SCHEMBL15542830 0.76 PDE4A (0.39) PNPDPP4MAPK1CDC7DBF4
SCHEMBL7668619 0.75 CDK1 (0.36) PIN1PNPMAPTBRAFCDK2

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-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
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
EP-3003321-A2 USE OF DIANHYDROGALACTITOL AND ANALOGS AND DERIVATIVES THEREOF TO TREAT RECURRENT MALIGNANT GLIOMA OR PROGRESSIVE SECONDARY BRIAN TUMOR Del Mar Pharmaceuticals (CA) 2016-04-13 EP disclosed
US-20160045502-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2016-02-18 US disclosed
EP-2983674-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS Brown, Dennis M. (US) 2016-02-17 EP 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-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

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

For each of this compound's patents that has machine-readable text (11 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 HCAR1 2105/4885PIN1 2640/4885CYP1A2 1732/4885
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 HCAR1 3892/4885PIN1 1459/4885CYP1A2 3666/4885
US-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG HCAR1 3619/4885PIN1 2059/4885CYP1A2 3849/4885
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 HCAR1 928/4885PIN1 3014/4885CYP1A2 4534/4885
US-20160045502-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT HCAR1 2105/4885PIN1 2640/4885CYP1A2 1732/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 HCAR1 942/4885PIN1 3431/4885CYP1A2 4656/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 HCAR1 3892/4885PIN1 1459/4885CYP1A2 3666/4885
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 HCAR1 391/4885PIN1 2370/4885CYP1A2 2051/4885
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DDOST, DCLRE1A, OGG1 HCAR1 1650/4885PIN1 2447/4885CYP1A2 4205/4885
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 HCAR1 391/4885PIN1 2370/4885CYP1A2 2051/4885
US-11026914-B2 Use of dianhydrogalactitol and analogs and derivatives thereof to treat recurrent malignant glioma or progressive secondary brain tumor DDOST, DAD1, PHGDH HCAR1 776/4885PIN1 2695/4885CYP1A2 3811/4885

“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.