SCHEMBL21057258

SCHEMBL21057258

CC1CCC(c2nnc3c(N)nccn23)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.50
AHCY P23526 1/20 0.37
TNK2 Q07912 10/20 0.37
NUDT1 P36639 1/20 0.36
FGFR2 P21802 1/20 0.35
TLR7 Q9NYK1 3/20 0.34
IGF1R P08069 1/20 0.34
FGFR1 P11362 1/20 0.34

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
SCHEMBL21057256 1.00 ADORA3 (0.50) ADORA3AHCYTNK2NUDT1FGFR2
SCHEMBL21057292 0.92 ADORA3 (0.56) ADORA3AHCYTNK2NUDT1FGFR2
SCHEMBL21057513 0.87 ADORA3 (0.51) ADORA3AHCYTNK2NUDT1TLR7
SCHEMBL21138747 0.86 ADORA3 (0.53) ADORA3TNK2FGFR2IGF1RFGFR1
SCHEMBL21138169 0.86 ADORA3 (0.53) ADORA3AHCYTNK2FGFR2IGF1R
SCHEMBL21057503 0.85 ADORA3 (0.52) ADORA3TNK2FGFR2IGF1R
SCHEMBL21159604 0.83 ADORA3 (0.46) ADORA3TNK2FGFR2IGF1RFGFR1
SCHEMBL21057338 0.83 ADORA3 (0.46) ADORA3TNK2FGFR2IGF1RFGFR1
SCHEMBL21057298 0.83 ADORA3 (0.46) ADORA3TNK2FGFR2IGF1RFGFR1
SCHEMBL19917164 0.83 ADORA3 (0.46) ADORA3TNK2FGFR2IGF1RFGFR1

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 ADORA3 3356/4885AHCY 1944/4885TNK2 2524/4885
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A ADORA3 1484/4885AHCY 1959/4885TNK2 148/4885

“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.