SCHEMBL17338950

SCHEMBL17338950

CC(C)n1cnc2c1C[C@H](N)CC2

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ PI4K2B Q8TCG2 1/20 0.32
▸ PI4K2A Q9BTU6 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ FLT3 P36888 1/20 0.30
▸ PLAU P00749 1/20 0.30

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
SCHEMBL17338953 1.00 ADORA2A (0.32) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL18762232 0.74 ADORA2A (0.32) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL17338938 0.73 ADORA2A (0.36) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL17338937 0.73 ADORA2A (0.36) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL15723732 0.72 PDE3B (0.33) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL18762256 0.71 ADORA2A (0.32) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL17338760 0.70 ADORA2A (0.31) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL18762252 0.68 ADRA1A (0.31) —
SCHEMBL17342219 0.68 ADRA1A (0.31) —
SCHEMBL18762250 0.68 ADRA1A (0.31) —

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 4 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
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
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 82/4885ADORA1 51/4885ADORA2B 127/4885
US-10100064-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA ADORA2A 82/4885ADORA1 51/4885ADORA2B 127/4885

“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.

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