SCHEMBL21138136

SCHEMBL21138136

Nc1nccn2c(N3CCCC(F)C3)nnc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.38
PTPN11 Q06124 9/20 0.36
CHRM3 P20309 2/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
AHCY P23526 1/20 0.34
NUDT1 P36639 1/20 0.32
LRRK2 Q5S007 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
MAP3K12 Q12852 2/20 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
SCHEMBL19917077 0.86 MAP4K4 (0.44) ADORA3PTPN11AHCY
SCHEMBL21138574 0.85 PTPN11 (0.37) ADORA3PTPN11CHRM3PDE4APDE4B
SCHEMBL21138158 0.85 MAP4K4 (0.41) ADORA3PTPN11AHCYLRRK2TLR7
SCHEMBL21138461 0.81 PTPN11 (0.42) ADORA3PTPN11AHCYTLR7
SCHEMBL21138170 0.81 ADORA3 (0.41) ADORA3PTPN11AHCYNUDT1TLR7
SCHEMBL21138462 0.81 ADORA3 (0.41) ADORA3PTPN11AHCYNUDT1TLR7
SCHEMBL21138160 0.81 ADORA3 (0.41) ADORA3PTPN11AHCYNUDT1TLR7
SCHEMBL21138750 0.80 HRH3 (0.41) PTPN11HRH3
SCHEMBL19917168 0.78 PTPN11 (0.39) ADORA3PTPN11AHCYNUDT1TLR7
SCHEMBL19917139 0.78 PTPN11 (0.39) ADORA3PTPN11AHCYNUDT1TLR7

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 1484/4885PTPN11 497/4885CHRM3 1916/4885

“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.