SCHEMBL4048899

SCHEMBL4048899

Cn1nc(-c2cccc(S(C)(=O)=O)c2)c2cnc(N)nc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.52
TLR7 Q9NYK1 8/20 0.46
TLR9 Q9NR96 8/20 0.46
TLR8 Q9NR97 8/20 0.46
KCNH2 Q12809 2/20 0.42
ATR Q13535 2/20 0.42
PIK3CA P42336 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ROCK1 Q13464 1/20 0.41
LIMK1 P53667 1/20 0.41
PIK3CB P42338 1/20 0.41

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
SCHEMBL4220465 0.87 TLR7 (0.44) JAK2TLR7TLR9TLR8PIK3CA
SCHEMBL4213262 0.84 PIK3CG (0.51) JAK2TLR7TLR9TLR8PIK3CA
SCHEMBL4045710 0.84 TYRO3 (0.53) JAK2TLR7TLR9TLR8ATR
SCHEMBL4220286 0.81 ADORA1 (0.52) TLR7TLR9TLR8PIK3CAPIK3CB
SCHEMBL4234405 0.80 ADORA1 (0.51) TLR7TLR9TLR8PIK3CAPIK3CB
SCHEMBL4049232 0.80 TLR7 (0.52) TLR7TLR9TLR8PIK3CAPIK3CB
SCHEMBL4050664 0.80 TLR7 (0.47) TLR7TLR9TLR8PIK3CAPIK3CB
SCHEMBL4048549 0.79 KDR (0.47) TLR7TLR9TLR8ATRPIK3CA
SCHEMBL4231695 0.78 ADORA2A (0.50) TLR7TLR9TLR8PIK3CA
SCHEMBL4222169 0.77 ADORA2A (0.54) TLR7TLR9TLR8

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 JAK2 11/4885TLR7 1301/4885TLR9 1750/4885
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 JAK2 11/4885TLR7 1301/4885TLR9 1750/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 JAK2 11/4885TLR7 1301/4885TLR9 1750/4885
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 JAK2 11/4885TLR7 1301/4885TLR9 1750/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 JAK2 11/4885TLR7 1301/4885TLR9 1750/4885

“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.