SCHEMBL17338938

SCHEMBL17338938

NC1CCc2ncn(C3CC3)c2C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.36
▸ CYP11B2 P19099 8/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ PLAU P00749 1/20 0.32
▸ PI4KA P42356 3/20 0.31
▸ PI4K2B Q8TCG2 3/20 0.31
▸ PI4K2A Q9BTU6 3/20 0.31
▸ PI4KB Q9UBF8 3/20 0.31
▸ ADORA3 P0DMS8 2/20 0.31
▸ ADORA1 P30542 2/20 0.31
▸ ADORA2B P29275 1/20 0.31

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
SCHEMBL17338937 1.00 ADORA2A (0.36) ADORA2ACYP11B2CPB2JAK1PLAU
SCHEMBL17342221 0.86 CPB2 (0.31) CPB2
SCHEMBL17342219 0.82 ADRA1A (0.31) —
SCHEMBL18762252 0.82 ADRA1A (0.31) —
SCHEMBL18762250 0.82 ADRA1A (0.31) —
SCHEMBL20337727 0.74 CYP11B2 (0.40) ADORA2ACYP11B2CPB2PI4KAPI4K2B
SCHEMBL17338953 0.73 ADORA2A (0.32) ADORA2APLAUPI4KAPI4K2BPI4K2A
SCHEMBL17338950 0.73 ADORA2A (0.32) ADORA2APLAUPI4KAPI4K2BPI4K2A
SCHEMBL23852419 0.63 HCAR1 (0.37) ADORA2ACPB2JAK1PI4KAPI4K2B
SCHEMBL1542827 0.63 ADORA2A (0.32) ADORA2ACPB2PLAUPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154976-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2019-07-24 — — EP disclosed
EP-3154976-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2019-07-24 — — EP disclosed
US-10100064-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2018-10-16 — — US disclosed
US-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP DOHME CORP. (US) 2017-04-27 — — US disclosed
US-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP DOHME CORP. (US) 2017-04-27 — — US disclosed
US-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP DOHME CORP. (US) 2017-04-27 — — US disclosed
WO-2015188369-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2015-12-17 — — WO disclosed
WO-2015188369-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2015-12-17 — — 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 (2 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-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA ADORA2A 82/4885CYP11B2 774/4885CPB2 2468/4885
US-10100064-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA ADORA2A 82/4885CYP11B2 774/4885CPB2 2468/4885

“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.

Send feedback