SCHEMBL21138170

SCHEMBL21138170

Nc1nccn2c(N3CCCCC3)nnc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.41
NUDT1 P36639 1/20 0.39
PTPN11 Q06124 9/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
AHCY P23526 1/20 0.34
TLR7 Q9NYK1 4/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL21138462 1.00 ADORA3 (0.41) ADORA3NUDT1PTPN11PIM1PIM3
SCHEMBL21138160 1.00 ADORA3 (0.41) ADORA3NUDT1PTPN11PIM1PIM3
SCHEMBL21138854 0.83 PTPN11 (0.44) ADORA3NUDT1PTPN11
SCHEMBL21138159 0.82 ADORA3 (0.40) ADORA3NUDT1PTPN11AHCYTLR7
SCHEMBL21138466 0.82 PTPN11 (0.45) ADORA3NUDT1PTPN11AHCY
SCHEMBL21138166 0.82 CYP2D6 (0.38) ADORA3NUDT1PTPN11
SCHEMBL21138164 0.82 CYP2D6 (0.38) ADORA3NUDT1PTPN11
SCHEMBL21138814 0.81 ADORA3 (0.37) ADORA3PTPN11
SCHEMBL21138292 0.81 ADORA3 (0.37) ADORA3PTPN11
SCHEMBL21138580 0.81 ADORA3 (0.37) ADORA3PTPN11

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 1484/4885NUDT1 60/4885PTPN11 497/4885

“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.