SCHEMBL4047686

SCHEMBL4047686

CC(=O)c1ccc(-c2nn(C)c3nc(N)ncc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.46
TLR9 Q9NR96 8/20 0.46
TLR8 Q9NR97 8/20 0.46
SRC P12931 2/20 0.44
PIK3CA P42336 2/20 0.44
MTOR P42345 2/20 0.44
PIK3CD O00329 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
HCK P08631 1/20 0.44
KDR P35968 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
EPHB4 P54760 1/20 0.44
PRKDC P78527 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
CLK1 P49759 4/20 0.43
HPGD P15428 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 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
SCHEMBL4048549 0.85 KDR (0.47) TLR7TLR9TLR8SRCPIK3CA
SCHEMBL4227244 0.85 TLR7 (0.50) TLR7TLR9TLR8SRCPIK3CA
SCHEMBL4220294 0.81 TLR7 (0.47) TLR7TLR9TLR8SRCPIK3CA
SCHEMBL4049229 0.79 ADORA2A (0.47) TLR7TLR9TLR8PIK3CAMTOR
SCHEMBL4048227 0.78 TLR7 (0.50) TLR7TLR9TLR8PIK3CAMTOR
SCHEMBL4045726 0.78 KMT2A (0.57) TLR7TLR9TLR8SRCKDR
SCHEMBL31150259 0.78 TLR7 (0.46) TLR7TLR9TLR8SRCPIK3CA
SCHEMBL4219297 0.76 CYP3A4 (0.39) TLR7TLR9TLR8
SCHEMBL4261117 0.75 TLR7 (0.46) TLR7TLR9TLR8SRCPIK3CA
SCHEMBL4230382 0.75 PIK3CA (0.46) 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 11 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-2046796-A1 TETRAHYDROFURO [3, 2 -B]PYRR0L-3-ONES AS CATHEPSIN K INHIBITORS Amura Therapeutics Limited (GB) 2009-04-15 EP disclosed
EP-2026811-A1 PYRAZOLO [3, 4-D]PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS Novartis AG (CH) 2009-02-25 EP disclosed
WO-2008007114-A1 TETRAHYDROFURO [3, 2 -B] PYRR0L-3-ONES AS CATHEPSIN K INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO 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.