SCHEMBL4223404

SCHEMBL4223404

Cn1nc(-c2ccc(OCCN3CCOCC3)c(F)c2)c2cnc(N)nc21

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.75
TLR9 Q9NR96 8/20 0.65
TLR8 Q9NR97 8/20 0.65
BCHE P06276 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
MAOB P27338 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
KIT P10721 1/20 0.41
PDPK1 O15530 1/20 0.41
ADCY10 Q96PN6 1/20 0.41
MET P08581 1/20 0.41
AXL P30530 2/20 0.41
INSR P06213 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4221994 0.95 TLR7 (0.83) TLR7TLR9TLR8METAXL
SCHEMBL4226497 0.92 TLR7 (0.79) TLR7TLR9TLR8ADORA2AADORA1
SCHEMBL4221225 0.86 TLR7 (1.00) TLR7TLR9TLR8MET
SCHEMBL4215022 0.84 TLR7 (0.74) TLR7TLR9TLR8KDM4E
SCHEMBL4214625 0.84 TLR7 (0.74) TLR7TLR9TLR8KDM4E
SCHEMBL4232869 0.84 TLR7 (0.54) TLR7TLR9TLR8BCHEMAOA
SCHEMBL4044815 0.83 TLR7 (0.72) TLR7TLR9TLR8KDM4E
SCHEMBL4275196 0.82 TLR7 (0.74) TLR7TLR9TLR8KDM4E
SCHEMBL4228277 0.82 TLR7 (0.70) TLR7TLR9TLR8KDM4E
SCHEMBL4047282 0.80 TLR7 (0.67) TLR7TLR9TLR8KDM4E

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.