SCHEMBL4226449

SCHEMBL4226449

Cc1noc(C)c1-c1nn(C)c2nc(N)ncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
TLR8 Q9NR97 9/20 0.40
TLR9 Q9NR96 8/20 0.40
BRD4 O60885 3/20 0.39
TLR7 Q9NYK1 8/20 0.39
CDK4 P11802 1/20 0.37
CCND3 P30281 1/20 0.37
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
RICTOR Q6R327 1/20 0.34
RPTOR Q8N122 1/20 0.34
MAPKAP1 Q9BPZ7 1/20 0.34
MLST8 Q9BVC4 1/20 0.34

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
SCHEMBL130603 0.73 RET (0.56) SIGMAR1CYP1A2PIK3CAMTOR
SCHEMBL30139732 0.71 BTK (0.50) TLR8TLR9TLR7CDK4CCND3
SCHEMBL4050303 0.70 TLR7 (0.43) TLR8TLR9TLR7PIK3CAMTOR
SCHEMBL4260338 0.70 TLR7 (0.45) TLR8TLR9TLR7CDK4CCND3
SCHEMBL4215554 0.70 CDK4 (0.42) TLR8TLR9TLR7CDK4CCND3
SCHEMBL4222584 0.69 TLR9 (0.48) TLR8TLR9TLR7PIK3CAMTOR
SCHEMBL4049229 0.69 ADORA2A (0.47) TLR8TLR9TLR7CDK4CCND3
SCHEMBL4227244 0.69 TLR7 (0.50) TLR8TLR9TLR7PIK3CAMTOR
SCHEMBL4219371 0.69 ESR1 (0.57) TLR8TLR9TLR7
SCHEMBL4219305 0.69 ADORA2A (0.49) USP2ALDH1A1

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 SIGMAR1 1281/4885TLR8 2531/4885TLR9 1750/4885
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 SIGMAR1 1281/4885TLR8 2531/4885TLR9 1750/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 SIGMAR1 1281/4885TLR8 2531/4885TLR9 1750/4885
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 SIGMAR1 1281/4885TLR8 2531/4885TLR9 1750/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 SIGMAR1 1281/4885TLR8 2531/4885TLR9 1750/4885

“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.