SCHEMBL4259100

SCHEMBL4259100

Cn1nc(-c2ccc(O)c(Cl)c2F)c2cnc(N)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.41
TLR9 Q9NR96 8/20 0.41
TLR8 Q9NR97 8/20 0.41
ESR1 P03372 1/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GFER P55789 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
KDR P35968 1/20 0.33
JAK3 P52333 1/20 0.33
AURKB Q96GD4 1/20 0.33
EGFR P00533 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33

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
SCHEMBL4265206 0.85 TLR7 (0.38) TLR7TLR9TLR8ESR1KMT2A
SCHEMBL4231672 0.81 IDO1 (0.42) TLR7TLR9TLR8ESR1KMT2A
SCHEMBL4223741 0.81 NPC1 (0.46) TLR7TLR9TLR8ESR1KMT2A
SCHEMBL4219371 0.80 ESR1 (0.57) TLR7TLR9TLR8ESR1KMT2A
SCHEMBL4227399 0.79 TLR7 (0.41) TLR7TLR9TLR8ESR1KMT2A
SCHEMBL4262447 0.78 TLR7 (0.39) TLR7TLR9TLR8ESR1CDK4
SCHEMBL4228641 0.76 TLR7 (0.45) TLR7TLR9TLR8ADORA2AADORA1
SCHEMBL4216196 0.76 TLR7 (0.59) TLR7TLR9TLR8ESR1KDR
SCHEMBL4229742 0.75 TLR7 (0.41) TLR7TLR9TLR8ESR1ADORA2A
SCHEMBL4224031 0.75 TLR7 (0.41) TLR7TLR9TLR8JAK2KDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2009-05-21 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 (1 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 TLR7 1301/4885TLR9 1750/4885TLR8 2531/4885

“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.