SCHEMBL4215554

SCHEMBL4215554

Cn1nc(Cl)c2cnc(N)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.42
CCND3 P30281 1/20 0.42
FGFR1 P11362 2/20 0.40
FGFR2 P21802 2/20 0.40
FGFR4 P22455 2/20 0.40
FGFR3 P22607 2/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
TLR9 Q9NR96 8/20 0.39
TLR8 Q9NR97 8/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
BTK Q06187 1/20 0.38
TLR7 Q9NYK1 8/20 0.38
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
RICTOR Q6R327 1/20 0.35
RPTOR Q8N122 1/20 0.35
MAPKAP1 Q9BPZ7 1/20 0.35
MLST8 Q9BVC4 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
SCHEMBL30139732 0.83 BTK (0.50) CDK4CCND3FGFR1FGFR2FGFR4
SCHEMBL4222561 0.80 CDK4 (0.41) CDK4CCND3FGFR1FGFR2FGFR4
SCHEMBL4220294 0.79 TLR7 (0.47) EGFRSRCTLR9TLR8BTK
SCHEMBL4222789 0.76 TLR9 (0.44) CDK4CCND3FGFR1FGFR2FGFR4
SCHEMBL4045656 0.76 TLR7 (0.50) EGFRSRCTLR9TLR8ADORA1
SCHEMBL4258862 0.75 MEN1 (0.39) BTK
SCHEMBL4049142 0.75 TLR7 (0.47) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL17889388 0.74 PDE2A (0.47) ADORA2AADORA1HSP90AA1TRAP1
SCHEMBL4227399 0.74 TLR7 (0.41) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL4227244 0.74 TLR7 (0.50) EGFRSRCTLR9TLR8ADORA2A

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 CDK4 258/4885CCND3 253/4885FGFR1 233/4885
US-20140051698-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 CDK4 258/4885CCND3 253/4885FGFR1 233/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 CDK4 258/4885CCND3 253/4885FGFR1 233/4885
US-20140235632-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 CDK4 258/4885CCND3 253/4885FGFR1 233/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 CDK4 258/4885CCND3 253/4885FGFR1 233/4885

“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.