SCHEMBL4225072

SCHEMBL4225072

Cn1nc(-c2ccc(Cl)c(NS(C)(=O)=O)c2)c2cnc(N)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.45
PIK3CD O00329 6/20 0.45
PIK3CB P42338 6/20 0.45
PIK3CG P48736 6/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
TLR7 Q9NYK1 8/20 0.44
TLR9 Q9NR96 8/20 0.44
TLR8 Q9NR97 8/20 0.44
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
CECR2 Q9BXF3 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
MTOR P42345 1/20 0.40
RICTOR Q6R327 1/20 0.40
RPTOR Q8N122 1/20 0.40
MAPKAP1 Q9BPZ7 1/20 0.40
MLST8 Q9BVC4 1/20 0.40
BACE1 P56817 1/20 0.37

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
SCHEMBL4048637 0.86 TLR7 (0.52) PIK3CAMAPTKMT2ATLR7TLR9
SCHEMBL4045656 0.83 TLR7 (0.50) PIK3CAPIK3CDPIK3CBPIK3CGMAPT
SCHEMBL4213526 0.83 TLR7 (0.45) PIK3CAPIK3CDPIK3CBPIK3CGTLR7
SCHEMBL4216554 0.83 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBPIK3CGTLR7
SCHEMBL4045710 0.81 TYRO3 (0.53) PIK3CAPIK3CDPIK3CGKMT2ATLR7
SCHEMBL4263136 0.80 BRAF (0.49) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4047626 0.78 TLR7 (0.55) PIK3CATLR7TLR9TLR8MTOR
SCHEMBL8864846 0.77 MAPT (0.72) MAPTKMT2ABRD4CREBBPCECR2
SCHEMBL4220294 0.77 TLR7 (0.47) PIK3CATLR7TLR9TLR8MTOR
SCHEMBL4048899 0.76 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 8 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
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 PIK3CA 1/4885PIK3CD 7/4885PIK3CB 12/4885
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 PIK3CA 1/4885PIK3CD 7/4885PIK3CB 12/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 PIK3CA 1/4885PIK3CD 7/4885PIK3CB 12/4885
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 PIK3CA 1/4885PIK3CD 7/4885PIK3CB 12/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 PIK3CA 1/4885PIK3CD 7/4885PIK3CB 12/4885

“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.