SCHEMBL21057342

SCHEMBL21057342

C=C1CC(c2nnc3c(N)nccn23)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.51
NUDT1 P36639 1/20 0.37
AHCY P23526 1/20 0.35
TNK2 Q07912 9/20 0.33
TLR7 Q9NYK1 6/20 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
SCHEMBL21057292 0.84 ADORA3 (0.56) ADORA3NUDT1AHCYTNK2
SCHEMBL21138800 0.82 ADORA3 (0.34) ADORA3
SCHEMBL21138747 0.81 ADORA3 (0.53) ADORA3TNK2
SCHEMBL21138169 0.81 ADORA3 (0.53) ADORA3AHCYTNK2
SCHEMBL21057503 0.80 ADORA3 (0.52) ADORA3TNK2
SCHEMBL21057513 0.79 ADORA3 (0.51) ADORA3NUDT1AHCYTNK2TLR7
SCHEMBL21057256 0.78 ADORA3 (0.50) ADORA3NUDT1AHCYTNK2TLR7
SCHEMBL21138157 0.78 ADORA3 (0.50) ADORA3NUDT1AHCYTNK2TLR7
SCHEMBL21057325 0.78 ADORA3 (0.50) ADORA3NUDT1AHCYTNK2TLR7
SCHEMBL21057258 0.78 ADORA3 (0.50) ADORA3NUDT1AHCYTNK2TLR7

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 4 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 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 (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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A ADORA3 1484/4885NUDT1 60/4885AHCY 1959/4885

“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.