SCHEMBL4226497

SCHEMBL4226497

Cn1nc(-c2ccc(OCCN3CCCC3)c(F)c2)c2cnc(N)nc21

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.79
TLR9 Q9NR96 9/20 0.68
TLR8 Q9NR97 9/20 0.68
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
LTA4H P09960 1/20 0.43
AXL P30530 1/20 0.43
HTR2C P28335 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TNK2 Q07912 2/20 0.40
LCK P06239 1/20 0.40
BTK Q06187 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MCHR1 Q99705 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 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
SCHEMBL4223404 0.92 TLR7 (0.75) TLR7TLR9TLR8AXLADORA2A
SCHEMBL4221225 0.89 TLR7 (1.00) TLR7TLR9TLR8HRH3
SCHEMBL4221994 0.87 TLR7 (0.83) TLR7TLR9TLR8AXLHRH3
SCHEMBL4215022 0.87 TLR7 (0.74) TLR7TLR9TLR8BTK
SCHEMBL4214625 0.87 TLR7 (0.74) TLR7TLR9TLR8BTK
SCHEMBL4044815 0.86 TLR7 (0.72) TLR7TLR9TLR8
SCHEMBL4275196 0.85 TLR7 (0.74) TLR7TLR9TLR8HRH3BTK
SCHEMBL4228277 0.84 TLR7 (0.70) TLR7TLR9TLR8
SCHEMBL4261060 0.83 TLR7 (0.56) TLR7TLR9TLR8ESR1ESR2
SCHEMBL4047282 0.82 TLR7 (0.67) 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 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.