SCHEMBL21138751

SCHEMBL21138751

C[C@@H]1C[C@H](C)CN(c2nnc3c(N)nccn23)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.41
PTPN11 Q06124 4/20 0.37
TLR7 Q9NYK1 9/20 0.37
NUDT1 P36639 1/20 0.36
AHCY P23526 1/20 0.35
KMT2A Q03164 1/20 0.34
TNK2 Q07912 1/20 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
SCHEMBL19917076 1.00 ADORA3 (0.41) ADORA3PTPN11TLR7NUDT1AHCY
SCHEMBL21057496 1.00 ADORA3 (0.41) ADORA3PTPN11TLR7NUDT1AHCY
SCHEMBL21057493 1.00 ADORA3 (0.41) ADORA3PTPN11TLR7NUDT1AHCY
SCHEMBL21138158 0.85 MAP4K4 (0.41) ADORA3PTPN11TLR7AHCYKMT2A
SCHEMBL21138161 0.85 ADORA3 (0.43) ADORA3PTPN11TLR7NUDT1AHCY
SCHEMBL21138159 0.84 ADORA3 (0.40) ADORA3PTPN11TLR7NUDT1AHCY
SCHEMBL21137449 0.82 PTPN11 (0.34) PTPN11KMT2A
SCHEMBL19917168 0.81 PTPN11 (0.39) ADORA3PTPN11TLR7NUDT1AHCY
SCHEMBL19917139 0.81 PTPN11 (0.39) ADORA3PTPN11TLR7NUDT1AHCY
SCHEMBL21057479 0.78 ADORA3 (0.38) ADORA3PTPN11TLR7NUDT1AHCY

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1484/4885PTPN11 497/4885TLR7 218/4885

“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.