SCHEMBL22071869

SCHEMBL22071869

Cn1ccc(=O)n2ccnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
LPO P22079 1/20 0.34
BRD4 O60885 2/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
HTT P42858 1/20 0.33
CRBN Q96SW2 2/20 0.32
PDE2A O00408 1/20 0.32
PDE6D O43924 1/20 0.32
PDE8A O60658 1/20 0.32
PDE5A O76074 1/20 0.32
PDE9A O76083 1/20 0.32
PDE8B O95263 1/20 0.32
PDE6A P16499 1/20 0.32
PDE6G P18545 1/20 0.32
PDE4A P27815 1/20 0.32
PDE6B P35913 1/20 0.32
PDE6C P51160 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32

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
SCHEMBL22071854 0.76 ADORA3 (0.33) ADORA3
SCHEMBL22071865 0.76 PDE4A (0.33) ADORA3HTTPDE4APDE1APDE1B
SCHEMBL22072394 0.76 ADORA3 (0.33) ADORA3CRBNDDB1
SCHEMBL22072415 0.76 ADORA3 (0.33) ADORA3
SCHEMBL13936549 0.69 ADORA3 (0.41) ADORA3LPOBRD4CCNE1CDK2
SCHEMBL31180579 0.68 TNKS (0.31) LPOBRD4BRPF1BRD9
SCHEMBL2451499 0.65 CCNE1 (0.34) ADORA3LPOCCNE1CDK2HTT
SCHEMBL25635148 0.64 LPO (0.33) LPOPDE2APDE6DPDE8APDE5A
SCHEMBL20588488 0.62 HAVCR2 (0.34) BRD4CRBNTAF1BRPF1CREBBP
SCHEMBL23415139 0.60 ADORA3 (0.41) ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 US disclosed
WO-2020117623-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 WO disclosed
WO-2020117624-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 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 (1 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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 ADORA3 122/4885LPO 4549/4885BRD4 1650/4885

“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.