SCHEMBL15475469

SCHEMBL15475469

COc1c(Cl)cc(-c2nn(C)c3nc(N)ncc23)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 8/20 0.41
▸ TLR9 Q9NR96 8/20 0.41
▸ TLR8 Q9NR97 8/20 0.41
▸ MAPT P10636 1/20 0.36
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ RICTOR Q6R327 1/20 0.33
▸ RPTOR Q8N122 1/20 0.33
▸ MAPKAP1 Q9BPZ7 1/20 0.33
▸ MLST8 Q9BVC4 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ KDR P35968 1/20 0.32

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
Sulfuric Acid SCHEMBL4223878 0.94 TLR7 (0.39) TLR7TLR9TLR8MAPTHCRTR1
SCHEMBL4267137 0.90 TLR7 (0.42) TLR7TLR9TLR8MAPTPIK3CA
SCHEMBL4220390 0.85 TLR7 (0.41) TLR7TLR9TLR8ADORA2AADORA1
SCHEMBL4230072 0.82 CYP1A2 (0.41) TLR7TLR9TLR8KDM4EALDH1A1
SCHEMBL4223203 0.81 TLR7 (0.53) TLR7TLR9TLR8ADORA1PIK3CA
SCHEMBL4215536 0.79 TLR7 (0.53) TLR7TLR9TLR8PIK3CAMTOR
SCHEMBL4220130 0.78 TLR9 (0.47) TLR7TLR9TLR8PIK3CAMTOR
SCHEMBL4222317 0.78 TLR7 (0.47) TLR7TLR9TLR8ADORA2AADORA1
SCHEMBL4267919 0.77 TLR7 (0.44) TLR7TLR9TLR8ADORA2AADORA1
SCHEMBL4222789 0.77 TLR9 (0.44) TLR7TLR9TLR8ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-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.

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