SCHEMBL4215652

SCHEMBL4215652

Cn1nc(-c2cccc3cccnc23)c2cnc(N)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
MMP9 P14780 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MMP8 P22894 1/20 0.39
CCR1 P32246 1/20 0.39
THPO P40225 1/20 0.39
MMP13 P45452 1/20 0.39
CCR5 P51681 1/20 0.39

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
SCHEMBL4228641 0.77 TLR7 (0.45) TLR7TLR9TLR8EGFRSRC
SCHEMBL4274356 0.76 EGFR (0.43) KDM4ETLR7TLR9TLR8EGFR
SCHEMBL4233087 0.76 GRM5 (0.54) MTORKDM4EHSP90AA1SMN1; SMN2TLR7
SCHEMBL4234137 0.75 TLR7 (0.44) MTORTLR7TLR9TLR8PIK3CD
SCHEMBL4224031 0.74 TLR7 (0.41) TLR7TLR9TLR8ABL1EGFR
SCHEMBL4049229 0.73 ADORA2A (0.47) MTORTLR7TLR9TLR8PIK3CA
SCHEMBL4219371 0.73 ESR1 (0.57) LMNAHTTTP53MAPTTSHR
SCHEMBL4263136 0.72 BRAF (0.49) ALOX15HTTPIK3CDEGFRSRC
SCHEMBL4050303 0.72 TLR7 (0.43) MTORHSP90AA1TLR7TLR9TLR8
SCHEMBL4220286 0.72 ADORA1 (0.52) MTORTLR7TLR9TLR8PIK3CD

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 MTOR 58/4885LMNA 3776/4885ALOX15 4056/4885
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 MTOR 58/4885LMNA 3776/4885ALOX15 4056/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 MTOR 58/4885LMNA 3776/4885ALOX15 4056/4885
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 MTOR 58/4885LMNA 3776/4885ALOX15 4056/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 MTOR 58/4885LMNA 3776/4885ALOX15 4056/4885

“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.