SCHEMBL441412

SCHEMBL441412

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
ADORA1 P30542 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
P2RY12 Q9H244 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
SCHEMBL2028468 0.93 ADORA2B (0.38) ADORA2AADORA2BADORA1ADORA3
SCHEMBL5582828 0.90
SCHEMBL29449394 0.89 TYMP (0.39) PRKAG1PRKAA1PRKAB1PRMT6P2RY12
SCHEMBL29674590 0.89 TYMP (0.39) PRKAG1PRKAA1PRKAB1PRMT6P2RY12
SCHEMBL15786367 0.89 TYMP (0.39) PRKAG1PRKAA1PRKAB1PRMT6P2RY12
SCHEMBL2054229 0.89 TYMP (0.39) PRKAG1PRKAA1PRKAB1PRMT6P2RY12
SCHEMBL23881919 0.89 PRMT6 (0.34) ADORA2AADORA2BADORA1PRKAG1PRKAA1
SCHEMBL7206380 0.87 PRMT6 (0.35) PRKAG1PRKAA1PRKAB1PRMT6P2RY12
SCHEMBL25505318 0.86 PRMT6 (0.39) ADORA1PRMT6P2RY12
SCHEMBL25504694 0.85 ADORA1 (0.41) ADORA1PRMT6

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230193258-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE 2023-06-22 US disclosed
US-11208654-B2 Methods and compositions for the treatment of cancer or other diseases CITY OF HOPE (US) 2021-12-28 US disclosed
US-20200032255-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE 2020-01-30 US disclosed
US-10253318-B2 Methods and compositions for the treatment of cancer or other diseases CITY OF HOPE (US) 2019-04-09 US disclosed
US-20180142239-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE 2018-05-24 US disclosed
US-9688982-B2 Methods and compositions for the treatment of cancer or other diseases CITY OF HOPE (US) 2017-06-27 US disclosed
US-9200279-B2 Methods and compositions for the treatment of cancer or other diseases CITY OF HOPE (US) 2015-12-01 US disclosed
US-9200280-B2 Methods and compositions for the treatment of cancer or other diseases CITY OF HOPE (US) 2015-12-01 US disclosed
US-20140287987-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE (US) 2014-09-25 US disclosed
US-8748405-B2 Methods and compositions for the treatment of cancer or other diseases CITY OF HOPE (US) 2014-06-10 US disclosed
US-20140128324-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE (US) 2014-05-08 US disclosed
US-20140066592-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE (US) 2014-03-06 US disclosed
US-20120065125-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE (US) 2012-03-15 US disclosed
US-20110071210-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE (US) 2011-03-24 US disclosed
EP-2125855-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE (US) 2009-12-02 EP disclosed
US-20080214436-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE (US) 2008-09-04 US disclosed
WO-2008094254-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES CITY OF HOPE (US) 2008-08-07 WO disclosed
US-6379931-B1 Chimeric DNA/RNA ribozymes containing propanediol CITY OF HOPE 2002-04-30 US 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-20080214436-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 ADORA2A 2077/4885ADORA2B 2853/4885ADORA1 3210/4885
US-20120065125-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 ADORA2A 2077/4885ADORA2B 2853/4885ADORA1 3210/4885
US-20140066592-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 ADORA2A 2077/4885ADORA2B 2853/4885ADORA1 3210/4885
US-20180142239-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 ADORA2A 2077/4885ADORA2B 2853/4885ADORA1 3210/4885
US-11208654-B2 Methods and compositions for the treatment of cancer or other diseases HLA-DRB1, CD47, IL2 ADORA2A 2077/4885ADORA2B 2853/4885ADORA1 3210/4885
US-20140287987-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 ADORA2A 2077/4885ADORA2B 2853/4885ADORA1 3210/4885
US-20200032255-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 ADORA2A 2077/4885ADORA2B 2853/4885ADORA1 3210/4885
US-20110071210-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 ADORA2A 2077/4885ADORA2B 2853/4885ADORA1 3210/4885
US-20230193258-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 ADORA2A 2077/4885ADORA2B 2853/4885ADORA1 3210/4885
US-20140128324-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER OR OTHER DISEASES HLA-DRB1, CD47, IL2 ADORA2A 2077/4885ADORA2B 2853/4885ADORA1 3210/4885
US-10253318-B2 Methods and compositions for the treatment of cancer or other diseases HLA-DRB1, CD47, IL2 ADORA2A 2077/4885ADORA2B 2853/4885ADORA1 3210/4885

“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.