SCHEMBL21057261

SCHEMBL21057261

C[C@H]1CCC[C@H](n2nnc3c(N)ncnc32)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.48
ADORA3 P0DMS8 5/20 0.48
ADORA1 P30542 5/20 0.48
ADORA2B P29275 3/20 0.48
AHCY P23526 1/20 0.47
PI4KB Q9UBF8 8/20 0.45
PI4KA P42356 5/20 0.45
PI4K2B Q8TCG2 5/20 0.45
PI4K2A Q9BTU6 5/20 0.45
PDE8B O95263 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIK3CD O00329 3/20 0.39
ABL1 P00519 3/20 0.39
EGFR P00533 3/20 0.39

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
SCHEMBL21057422 1.00 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2BAHCY
SCHEMBL21057264 1.00 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2BAHCY
SCHEMBL21138851 0.87 ADORA2A (0.56) ADORA2AADORA3ADORA1ADORA2BAHCY
SCHEMBL21138165 0.86 AHCY (0.51) ADORA2AADORA3ADORA1ADORA2BAHCY
SCHEMBL21138180 0.84 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2BAHCY
SCHEMBL21057481 0.83 AHCY (0.48) ADORA2AADORA3ADORA1ADORA2BAHCY
SCHEMBL21057392 0.83 AHCY (0.48) ADORA2AADORA3ADORA1ADORA2BAHCY
SCHEMBL21057395 0.83 AHCY (0.48) ADORA2AADORA3ADORA1ADORA2BAHCY
SCHEMBL21058221 0.83 ADORA2A (0.57) ADORA2AADORA3ADORA1ADORA2BAHCY
SCHEMBL21057329 0.83 ADORA2A (0.57) ADORA2AADORA3ADORA1ADORA2BAHCY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP claimed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US claimed
US-20260060970-A1 Use of a Therapeutic Agent with Phosphodiesterase-7 Inhibitory Activity for the Treatment and Prevention of Diseases Associated with Chronic Fatigue, Exhaustion and/or Exertional Intolerance MITODICURE GMBH (DE) 2026-03-05 US disclosed
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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 (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-20260060970-A1 Use of a Therapeutic Agent with Phosphodiesterase-7 Inhibitory Activity for the Treatment and Prevention of Diseases Associated with Chronic Fatigue, Exhaustion and/or Exertional Intolerance PDE5A, PDE4C, PDE12 ADORA2A 2108/4885ADORA3 3356/4885ADORA1 3590/4885
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A ADORA2A 1642/4885ADORA3 1484/4885ADORA1 1281/4885

“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.