SCHEMBL4048549

SCHEMBL4048549

CC(=O)c1cccc(-c2nn(C)c3nc(N)ncc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.47
PIK3CD O00329 1/20 0.47
ABL1 P00519 1/20 0.47
EGFR P00533 1/20 0.47
HCK P08631 1/20 0.47
SRC P12931 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
MTOR P42345 1/20 0.47
PIK3CG P48736 1/20 0.47
EPHB4 P54760 1/20 0.47
PRKDC P78527 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
DHFR P00374 2/20 0.46
TLR7 Q9NYK1 7/20 0.46
TLR9 Q9NR96 6/20 0.46
TLR8 Q9NR97 6/20 0.46
FYN P06241 4/20 0.44
HRH4 Q9H3N8 2/20 0.43
MAP4K4 O95819 2/20 0.43

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
SCHEMBL4230382 0.87 PIK3CA (0.46) PIK3CAMTORPIK3CGTLR7TLR9
SCHEMBL4047686 0.85 TLR7 (0.46) KDRPIK3CDABL1EGFRHCK
SCHEMBL4231771 0.85 ROCK2 (0.45) PIK3CAMTORTLR7TLR9TLR8
SCHEMBL4234405 0.83 ADORA1 (0.51) KDRPIK3CDABL1EGFRHCK
SCHEMBL4223229 0.82 GAA (0.48) KDRPIK3CAMTORTLR7TLR9
SCHEMBL4220286 0.81 ADORA1 (0.52) PIK3CDABL1SRCPIK3CAPIK3CB
SCHEMBL4049232 0.80 TLR7 (0.52) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL4212331 0.80 TLR7 (0.42) TLR7TLR9TLR8ROCK2
SCHEMBL4050664 0.80 TLR7 (0.47) KDRPIK3CDABL1EGFRHCK
SCHEMBL4048899 0.79 JAK2 (0.52) PIK3CAPIK3CBTLR7TLR9TLR8

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 KDR 2118/4885PIK3CD 7/4885ABL1 424/4885
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 KDR 2118/4885PIK3CD 7/4885ABL1 424/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 KDR 2118/4885PIK3CD 7/4885ABL1 424/4885
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 KDR 2118/4885PIK3CD 7/4885ABL1 424/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 KDR 2118/4885PIK3CD 7/4885ABL1 424/4885

“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.