SCHEMBL3305589

SCHEMBL3305589

Cc1cc(C)cc(Cn2c(N)nc3nc[nH]c3c2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.44
ADORA2B P29275 5/20 0.41
ADORA3 P0DMS8 1/20 0.41
PIN1 Q13526 2/20 0.40
PDE4A P27815 7/20 0.40
PDE4B Q07343 7/20 0.40
PDE4C Q08493 7/20 0.40
PDE4D Q08499 7/20 0.40
POLB P06746 1/20 0.39
ADORA2A P29274 5/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.38
MAP3K5 Q99683 1/20 0.37

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
SCHEMBL20970001 0.88 PIN1 (0.53) PNPADORA2BADORA3PIN1PDE4A
SCHEMBL3303816 0.87 KDM4E (0.51) PNPADORA2BADORA3PIN1PDE4A
Hydrochloric Acid SCHEMBL18605970 0.86 KDM4E (0.50) PNPADORA2BADORA3PIN1PDE4A
SCHEMBL18250 0.82 PNP (0.66) PNPADORA2BADORA3PDE4APDE4B
SCHEMBL17186471 0.81 PNP (0.42) PNPADORA2BADORA3PIN1PDE4A
SCHEMBL17186337 0.81 PNP (0.39) PNPADORA2BADORA3PIN1PDE4A
SCHEMBL1980960 0.81 PNP (0.64) PNPADORA2BADORA3PDE4APDE4B
SCHEMBL1262627 0.81 PNP (0.51) PNPADORA2BADORA3PDE4APDE4B
SCHEMBL3308563 0.81 PNP (0.51) PNPADORA2BADORA3PDE4APDE4B
SCHEMBL9226992 0.81 PNP (0.51) PNPADORA2BADORA3PDE4APDE4B

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 34 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
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
US-10981913-B2 11C -labeled 06 -benzylguanine, pet probe capable of visualizing 06-methyl guanine methyl-transferase activity, and production method of the same NATIONAL CENTER FOR GERIATRICS AND GERONTOLOGY (JP) 2021-04-20 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
EP-3483160-B1 METHOD FOR PRODUCING A 11C-LABELLED O6-BENZYLGUANINE NAT CT GERIATRICS & GERONTOLOGY (JP) 2020-11-18 EP disclosed
US-20190308974-A1 11C -LABELED O6 -BENZYLGUANINE, PET PROBE CAPABLE OF VISUALIZING O6 -METHYL GUANINE METHYL-TRANSFERASE ACTIVITY, AND PRODUCTION METHOD OF THE SAME NATIONAL CENTER FOR GERIATRICS AND GERONTOLOGY (JP) 2019-10-10 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
CN-104797267-A Method of treating tyrosine kinase inhibitor-resistant malignancies in patients with genetic polymorphism or AHI1 dysregulation or mutation using dianhydrogalactitol, diacetyldianhydrogalactitol, dibromodulcitol, or analogs or derivatives thereof DEL MAR PHARMACEUTICALS 2015-07-22 CN 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 (9 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 39/4885ADORA2B 1229/4885ADORA3 925/4885
US-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG PNP 560/4885ADORA2B 3994/4885ADORA3 4504/4885
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 2643/4885ADORA2B 4292/4885ADORA3 3723/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 PNP 2352/4885ADORA2B 4117/4885ADORA3 3360/4885
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG PNP 569/4885ADORA2B 3945/4885ADORA3 4486/4885
US-20190308974-A1 11C -LABELED O6 -BENZYLGUANINE, PET PROBE CAPABLE OF VISUALIZING O6 -METHYL GUANINE METHYL-TRANSFERASE ACTIVITY, AND PRODUCTION METHOD OF THE SAME DIMT1, ICMT, NUDT1 PNP 250/4885ADORA2B 956/4885ADORA3 598/4885
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 1702/4885ADORA2B 3605/4885ADORA3 2804/4885
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 3939/4885ADORA2B 3763/4885ADORA3 3005/4885
US-10981913-B2 11C -labeled 06 -benzylguanine, pet probe capable of visualizing 06-methyl guanine methyl-transferase activity, and production method of the same DIMT1, MPG, NUDT1 PNP 189/4885ADORA2B 996/4885ADORA3 725/4885

“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.