SCHEMBL21057391

SCHEMBL21057391

C[C@H]1CCCC[C@H]1n1nnc2c(N)ncnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 4/20 0.53
▸ PDE8B O95263 1/20 0.47
▸ ADORA2A P29274 7/20 0.44
▸ PI4KA P42356 5/20 0.44
▸ PI4K2B Q8TCG2 5/20 0.44
▸ PI4K2A Q9BTU6 5/20 0.44
▸ PI4KB Q9UBF8 5/20 0.44
▸ ADORA3 P0DMS8 5/20 0.44
▸ ADORA1 P30542 5/20 0.44
▸ ADORA2B P29275 3/20 0.42
▸ NFKB1 P19838 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ RET P07949 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL21057373 1.00 AHCY (0.53) AHCYPDE8BADORA2API4KAPI4K2B
SCHEMBL21057389 1.00 AHCY (0.53) AHCYPDE8BADORA2API4KAPI4K2B
SCHEMBL21057375 1.00 AHCY (0.53) AHCYPDE8BADORA2API4KAPI4K2B
SCHEMBL21057371 1.00 AHCY (0.53) AHCYPDE8BADORA2API4KAPI4K2B
SCHEMBL21057537 0.83 TP53 (0.39) AHCYPDE8BADORA1NFKB1CYP1A2
SCHEMBL21057534 0.83 TP53 (0.39) AHCYPDE8BADORA1NFKB1CYP1A2
SCHEMBL21057363 0.83 AHCY (0.53) AHCYPDE8BADORA2API4KAPI4K2B
SCHEMBL21057538 0.83 TP53 (0.39) AHCYPDE8BADORA1NFKB1CYP1A2
SCHEMBL21057362 0.83 AHCY (0.53) AHCYPDE8BADORA2API4KAPI4K2B
SCHEMBL21057360 0.83 AHCY (0.53) AHCYPDE8BADORA2API4KAPI4K2B

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 AHCY 1944/4885PDE8B 10/4885ADORA2A 2108/4885
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A AHCY 1959/4885PDE8B 13/4885ADORA2A 1642/4885

“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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