SCHEMBL21057366

SCHEMBL21057366

Nc1nccn2c([C@H]3[C@@H]4CCC[C@@H]43)nnc12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.52
AHCY P23526 1/20 0.39
NUDT1 P36639 1/20 0.38
FGFR2 P21802 1/20 0.36
TNK2 Q07912 7/20 0.35
IGF1R P08069 1/20 0.35
TTK P33981 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
SCHEMBL19917115 1.00 ADORA3 (0.52) ADORA3AHCYNUDT1FGFR2TNK2
SCHEMBL21159437 1.00 ADORA3 (0.52) ADORA3AHCYNUDT1FGFR2TNK2
SCHEMBL21057369 1.00 ADORA3 (0.52) ADORA3AHCYNUDT1FGFR2TNK2
SCHEMBL21057370 1.00 ADORA3 (0.52) ADORA3AHCYNUDT1FGFR2TNK2
SCHEMBL21057492 0.97 ADORA3 (0.52) ADORA3AHCYNUDT1FGFR2TNK2
SCHEMBL21057494 0.97 ADORA3 (0.52) ADORA3AHCYNUDT1FGFR2TNK2
SCHEMBL21057491 0.97 ADORA3 (0.52) ADORA3AHCYNUDT1FGFR2TNK2
SCHEMBL21138747 0.86 ADORA3 (0.53) ADORA3FGFR2TNK2IGF1RFGFR1
SCHEMBL21159626 0.83 ADORA3 (0.38) ADORA3
SCHEMBL21138810 0.83 ADORA3 (0.38) ADORA3

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 1484/4885AHCY 1959/4885NUDT1 60/4885

“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.