SCHEMBL4046635

SCHEMBL4046635

Cn1nc(-c2ccc(OCC#N)c(F)c2)c2cnc(N)nc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.67
TLR9 Q9NR96 10/20 0.67
TLR8 Q9NR97 10/20 0.67
ALOX5AP P20292 2/20 0.47
FEN1 P39748 2/20 0.47
PIK3CA P42336 5/20 0.41
MTOR P42345 5/20 0.41
RICTOR Q6R327 1/20 0.41
RPTOR Q8N122 1/20 0.41
MAPKAP1 Q9BPZ7 1/20 0.41
MLST8 Q9BVC4 1/20 0.41
PIK3CD O00329 4/20 0.39
ABL1 P00519 4/20 0.39
EGFR P00533 4/20 0.39
HCK P08631 4/20 0.39
SRC P12931 4/20 0.39
PIK3CB P42338 4/20 0.39
PIK3CG P48736 4/20 0.39
EPHB4 P54760 4/20 0.39
PRKDC P78527 4/20 0.39

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
SCHEMBL4228277 0.88 TLR7 (0.70) TLR7TLR9TLR8PIK3CAMTOR
SCHEMBL4215022 0.86 TLR7 (0.74) TLR7TLR9TLR8PIK3CAMTOR
SCHEMBL4214625 0.86 TLR7 (0.74) TLR7TLR9TLR8ALOX5APFEN1
SCHEMBL4047282 0.85 TLR7 (0.67) TLR7TLR9TLR8PIK3CAMTOR
SCHEMBL4044815 0.85 TLR7 (0.72) TLR7TLR9TLR8PIK3CAMTOR
SCHEMBL4275196 0.84 TLR7 (0.74) TLR7TLR9TLR8ALOX5APFEN1
SCHEMBL4234554 0.83 TLR7 (0.65) TLR7TLR9TLR8FEN1PIK3CA
SCHEMBL4050076 0.83 TLR7 (0.63) TLR7TLR9TLR8ALOX5APFEN1
SCHEMBL4226497 0.82 TLR7 (0.79) TLR7TLR9TLR8
SCHEMBL4262479 0.81 TLR7 (0.61) TLR7TLR9TLR8PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2016-10-20 US claimed
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2018-05-10 US disclosed
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2016-10-20 US disclosed
US-8901134-B2 Pyrazolo [3,4-D] pyrimidine derivatives useful to treat respiratory disorders NOVARTIS AG (CH) 2014-12-02 US disclosed
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2014-08-21 US disclosed
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2014-02-20 US disclosed
US-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2009-05-21 US disclosed
EP-2026811-A1 PYRAZOLO [3, 4-D]PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS Novartis AG (CH) 2009-02-25 EP disclosed
WO-2007134828-A1 PYRAZOLO [3, 4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2007-11-29 WO 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 (5 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-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 TLR7 1301/4885TLR9 1750/4885TLR8 2531/4885
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 TLR7 1301/4885TLR9 1750/4885TLR8 2531/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 TLR7 1301/4885TLR9 1750/4885TLR8 2531/4885
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 TLR7 1301/4885TLR9 1750/4885TLR8 2531/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 TLR7 1301/4885TLR9 1750/4885TLR8 2531/4885

“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.