SCHEMBL4223741

SCHEMBL4223741

Cn1nc(-c2cc(F)ccc2O)c2cnc(N)nc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
TLR7 Q9NYK1 8/20 0.45
TLR9 Q9NR96 8/20 0.45
TLR8 Q9NR97 8/20 0.45
SPR P35270 1/20 0.41
ESR1 P03372 1/20 0.37
IDO1 P14902 1/20 0.36
RPS6KA3 P51812 1/20 0.35
PIK3CA P42336 1/20 0.35
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
KDM1A O60341 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
SCHEMBL4231672 0.85 IDO1 (0.42) NPC1TLR7TLR9TLR8ESR1
SCHEMBL4229742 0.84 TLR7 (0.41) TLR7TLR9TLR8ESR1ADORA2A
SCHEMBL4046724 0.83 TLR7 (0.48) TLR7TLR9TLR8PIK3CAADORA1
SCHEMBL4224372 0.82 TLR9 (0.39) TLR7TLR9TLR8ESR1PIK3CA
SCHEMBL4219371 0.82 ESR1 (0.57) NPC1TLR7TLR9TLR8ESR1
SCHEMBL4227399 0.81 TLR7 (0.41) TLR7TLR9TLR8ESR1GFER
SCHEMBL4214893 0.81 TLR7 (0.54) TLR7TLR9TLR8PIK3CAADORA1
SCHEMBL4224648 0.81 TLR7 (0.48) TLR7TLR9TLR8PIK3CA
SCHEMBL4259100 0.81 TLR7 (0.41) TLR7TLR9TLR8ESR1RPS6KA3
SCHEMBL4216196 0.80 TLR7 (0.59) TLR7TLR9TLR8ESR1RPS6KA3

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 13 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
US-7488569-B2 Negative resist composition, a method for forming a resist pattern thereof, and a method for fabricating a semiconductor device FUJITSU LIMITED (JP) 2009-02-10 US disclosed
WO-2007134828-A1 PYRAZOLO [3, 4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2007-11-29 WO disclosed
US-20060263723-A1 Negative resist composition, a method for forming a resist pattern thereof, and a method for fabricating a semiconductor device FUJITSU LIMITED (JP) 2006-11-23 US disclosed
US-7122288-B2 Negative resist composition, a method for forming a resist pattern thereof, and a method for fabricating a semiconductor device FUJITSU LIMITED (JP) 2006-10-17 US disclosed
US-20020177070-A1 Negative resist composition, a method for forming a resist pattern thereof, and a method for fabricating a semiconductor device FUJITSU LIMITED (JP) 2002-11-28 US 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 NPC1 2237/4885TLR7 1301/4885TLR9 1750/4885
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 NPC1 2237/4885TLR7 1301/4885TLR9 1750/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 NPC1 2237/4885TLR7 1301/4885TLR9 1750/4885
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 NPC1 2237/4885TLR7 1301/4885TLR9 1750/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 NPC1 2237/4885TLR7 1301/4885TLR9 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.