SCHEMBL21138800

SCHEMBL21138800

C=C1CC(c2nnc3c(Cl)nccn23)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 14/20 0.34
HSD11B1 P28845 6/20 0.33
ADORA2A P29274 3/20 0.31
NR1I2 O75469 1/20 0.30

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
SCHEMBL21138249 0.83 HSD11B1 (0.45) ADORA3HSD11B1NR1I2
SCHEMBL21057342 0.82 ADORA3 (0.51) ADORA3
SCHEMBL21138331 0.81 HSD11B1 (0.47) ADORA3HSD11B1NR1I2
SCHEMBL21138816 0.80 HSD11B1 (0.49) ADORA3HSD11B1NR1I2
SCHEMBL21138911 0.78 HSD11B1 (0.37) ADORA3HSD11B1NR1I2
SCHEMBL21057425 0.78 HSD11B1 (0.37) ADORA3HSD11B1ADORA2ANR1I2
SCHEMBL21057356 0.78 HSD11B1 (0.37) ADORA3HSD11B1ADORA2A
SCHEMBL21159314 0.77 ADORA3 (0.33) ADORA3HSD11B1ADORA2ANR1I2
SCHEMBL401226 0.76 PDE1C (0.33)
SCHEMBL21138372 0.75 HSD11B1 (0.50) ADORA3HSD11B1NR1I2

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 ADORA3 1484/4885HSD11B1 478/4885ADORA2A 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.