SCHEMBL756635

SCHEMBL756635

CC(C)n1cnc2ncnc(N)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 1.00
ADORA1 P30542 6/20 1.00
ADORA2B P29275 3/20 0.54
PI4KA P42356 1/20 0.54
PI4K2B Q8TCG2 1/20 0.54
PI4K2A Q9BTU6 1/20 0.54
PI4KB Q9UBF8 1/20 0.54
DNMT3A Q9Y6K1 1/20 0.43
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
PIK3CD O00329 2/20 0.34
ADA P00813 3/20 0.33
PDE2A O00408 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 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
SCHEMBL31060798 1.00 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL4815868 0.86 ADORA2A (0.75) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL20097141 0.78 ADORA2A (0.64) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL18546883 0.77 ADORA2A (0.61) ADORA2AADORA1SMN1; SMN2ADAPDE2A
SCHEMBL19661762 0.77 ADORA2A (0.61) ADORA2AADORA1SMN1; SMN2ADAPDE2A
SCHEMBL26976 0.75 ADORA2A (0.61) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL946620 0.72 ADORA2A (0.56) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL18076190 0.72 ADORA2A (0.56) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL946072 0.71 ADORA2A (0.55) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL15942468 0.71 ADORA2A (0.55) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023028350-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH, INC. (US) 2023-03-02 WO disclosed
EP-3029041-B1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORP (US) 2020-03-04 EP disclosed
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2020-02-27 US disclosed
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2019-09-03 US disclosed
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2018-07-03 US disclosed
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2018-07-03 US disclosed
US-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-11-30 US disclosed
US-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-11-30 US disclosed
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-02-23 US disclosed
US-9487772-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2016-11-08 US disclosed
US-8653077-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-02-18 US disclosed
US-8637533-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-01-28 US disclosed
US-8623881-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-01-07 US disclosed
US-8492389-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2013-07-23 US disclosed
US-20120172591-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2012-07-05 US disclosed
US-20120135994-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2012-05-31 US disclosed
US-8138195-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2012-03-20 US disclosed
US-20100168139-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-07-01 US disclosed
US-20100152211-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-06-17 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 (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-20100152211-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA1 2913/4885ADORA2B 3586/4885
US-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA1 2913/4885ADORA2B 3586/4885
US-20100168139-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA1 2913/4885ADORA2B 3586/4885
US-20120135994-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA1 2913/4885ADORA2B 3586/4885
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3485/4885ADORA1 2944/4885ADORA2B 3754/4885
US-20120172591-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA1 2913/4885ADORA2B 3586/4885
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA1 2913/4885ADORA2B 3586/4885
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA1 2913/4885ADORA2B 3586/4885
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA1 2913/4885ADORA2B 3586/4885

“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.