SCHEMBL4274358

SCHEMBL4274358

COc1cc(Cl)ccc1-c1nn(C)c2nc(N)ncc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
TLR7 Q9NYK1 8/20 0.42
TLR9 Q9NR96 8/20 0.42
TLR8 Q9NR97 8/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR1 P34998 6/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
EGFR P00533 1/20 0.37
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37

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
SCHEMBL4225661 0.91 RECQL (0.44) TLR7TLR9TLR8MEN1KMT2A
SCHEMBL4218258 0.87 MAPT (0.46) HSP90AB1TLR7TLR9TLR8MEN1
SCHEMBL4224648 0.86 TLR7 (0.48) TLR7TLR9TLR8FGFR1FGFR2
SCHEMBL4232788 0.84 SUV39H2 (0.43) HSP90AA1HSP90AB1TLR7TLR9TLR8
SCHEMBL4264419 0.82 TLR7 (0.41) HSP90AA1HSP90AB1TLR7TLR9TLR8
SCHEMBL4232920 0.81 CRHR1 (0.42) TLR7TLR9TLR8CRHR1ADORA2A
SCHEMBL4231672 0.81 IDO1 (0.42) HSP90AA1TLR7TLR9TLR8MEN1
SCHEMBL4219502 0.80 TLR7 (0.45) HSP90AB1TLR7TLR9TLR8KMT2A
SCHEMBL4046724 0.79 TLR7 (0.48) TLR7TLR9TLR8ADORA1EGFR
SCHEMBL4049411 0.79 ADORA1 (0.55) TLR7TLR9TLR8KMT2AADORA2A

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 HSP90AA1 3482/4885HSP90AB1 3256/4885TLR7 1301/4885

“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.