SCHEMBL21057481

SCHEMBL21057481

C[C@H]1CC[C@H](n2nnc3c(N)ncnc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 2/20 0.48
ADORA2A P29274 8/20 0.48
TP53 P04637 1/20 0.43
PDE8B O95263 1/20 0.42
ADORA1 P30542 6/20 0.42
PI4KB Q9UBF8 6/20 0.42
ADORA3 P0DMS8 5/20 0.42
PI4KA P42356 5/20 0.42
PI4K2B Q8TCG2 5/20 0.42
PI4K2A Q9BTU6 5/20 0.42
ADORA2B P29275 3/20 0.42
RET P07949 2/20 0.40
SRC P12931 2/20 0.40
KDR P35968 2/20 0.40
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
DYRK3 O43781 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL21057395 1.00 AHCY (0.48) AHCYADORA2ATP53PDE8BADORA1
SCHEMBL21057392 1.00 AHCY (0.48) AHCYADORA2ATP53PDE8BADORA1
SCHEMBL24686947 0.92 ADORA2A (0.54) AHCYADORA2APDE8BADORA1PI4KB
SCHEMBL21138851 0.86 ADORA2A (0.56) AHCYADORA2ATP53PDE8BADORA1
SCHEMBL21138165 0.85 AHCY (0.51) AHCYADORA2ATP53PDE8BADORA1
SCHEMBL21057329 0.85 ADORA2A (0.57) AHCYADORA2APDE8BADORA1PI4KB
SCHEMBL21058221 0.85 ADORA2A (0.57) AHCYADORA2APDE8BADORA1PI4KB
SCHEMBL21138474 0.85 AHCY (0.48) AHCYADORA2APDE8BADORA1PI4KB
Hydrochloric Acid SCHEMBL21057461 0.84 ADORA2A (0.56) AHCYADORA2APDE8BADORA1PI4KB
SCHEMBL21057264 0.83 ADORA2A (0.48) AHCYADORA2ATP53PDE8BADORA1

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 7 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
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
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 1944/4885ADORA2A 2108/4885TP53 2963/4885
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A AHCY 1959/4885ADORA2A 1642/4885TP53 3997/4885

“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.