SCHEMBL4048949

SCHEMBL4048949

COc1ncc(-c2nn(C)c3nc(N)ncc23)c(OC)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
HCK P08631 1/20 0.48
SRC P12931 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
MTOR P42345 1/20 0.48
PIK3CG P48736 1/20 0.48
EPHB4 P54760 1/20 0.48
PRKDC P78527 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
PLAU P00749 2/20 0.41
TLR9 Q9NR96 8/20 0.41
TLR8 Q9NR97 8/20 0.41
TLR7 Q9NYK1 8/20 0.37
CRHR1 P34998 1/20 0.37
KMT2A Q03164 1/20 0.35
QPCT Q16769 1/20 0.35
QPCTL Q9NXS2 1/20 0.35

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
SCHEMBL4222584 0.81 TLR9 (0.48) PIK3CAMTORPLAUTLR9TLR8
SCHEMBL129868 0.78 PIK3CB (0.73) PIK3CDABL1EGFRHCKSRC
SCHEMBL4219502 0.72 TLR7 (0.45) TLR9TLR8TLR7KMT2ADHFR
SCHEMBL4218258 0.72 MAPT (0.46) PIK3CATLR9TLR8TLR7KMT2A
SCHEMBL4232788 0.72 SUV39H2 (0.43) EGFRSRCTLR9TLR8TLR7
SCHEMBL4274356 0.72 EGFR (0.43) EGFRSRCTLR9TLR8TLR7
SCHEMBL4054582 0.72 TLR9 (0.56) PIK3CAMTORTLR9TLR8TLR7
SCHEMBL4045726 0.72 KMT2A (0.57) SRCTLR9TLR8TLR7KMT2A
SCHEMBL4274358 0.72 HSP90AA1 (0.46) EGFRSRCTLR9TLR8TLR7
SCHEMBL4234137 0.72 TLR7 (0.44) PIK3CDABL1EGFRHCKSRC

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 PIK3CD 7/4885ABL1 424/4885EGFR 1469/4885
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 PIK3CD 7/4885ABL1 424/4885EGFR 1469/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 PIK3CD 7/4885ABL1 424/4885EGFR 1469/4885
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 PIK3CD 7/4885ABL1 424/4885EGFR 1469/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 PIK3CD 7/4885ABL1 424/4885EGFR 1469/4885

“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.