SCHEMBL21138855

SCHEMBL21138855

CCC1CCCC(n2nnc3c(N)ncnc32)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 2/20 0.47
ADORA2A P29274 8/20 0.45
ADORA1 P30542 6/20 0.45
ADORA3 P0DMS8 5/20 0.45
ADORA2B P29275 3/20 0.45
PDE8B O95263 1/20 0.42
PI4KA P42356 4/20 0.42
PI4K2B Q8TCG2 4/20 0.42
PI4K2A Q9BTU6 4/20 0.42
PI4KB Q9UBF8 4/20 0.42
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADCY5 O95622 5/20 0.38
DNMT1 P26358 1/20 0.36
DNMT3B Q9UBC3 1/20 0.36

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
SCHEMBL21138755 0.88 AHCY (0.47) AHCYADORA2AADORA1ADORA3ADORA2B
SCHEMBL21138477 0.88 AHCY (0.56) AHCYADORA2AADORA1ADORA3ADORA2B
SCHEMBL21138179 0.85 AHCY (0.47) AHCYADORA2AADORA1ADORA3ADORA2B
SCHEMBL21138474 0.85 AHCY (0.48) AHCYADORA2AADORA1ADORA3ADORA2B
SCHEMBL21138851 0.84 ADORA2A (0.56) AHCYADORA2AADORA1ADORA3ADORA2B
SCHEMBL21057422 0.84 ADORA2A (0.48) AHCYADORA2AADORA1ADORA3ADORA2B
SCHEMBL21057261 0.84 ADORA2A (0.48) AHCYADORA2AADORA1ADORA3ADORA2B
SCHEMBL21057264 0.84 ADORA2A (0.48) AHCYADORA2AADORA1ADORA3ADORA2B
SCHEMBL21058221 0.80 ADORA2A (0.57) AHCYADORA2AADORA1ADORA3ADORA2B
SCHEMBL21057329 0.80 ADORA2A (0.57) AHCYADORA2AADORA1ADORA3ADORA2B

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 2 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
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 AHCY 1959/4885ADORA2A 1642/4885ADORA1 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.