SCHEMBL359403

SCHEMBL359403

CC(C)(C)[Si](C)(C)OCCc1cnc2c(C(=O)Nc3cc(Cl)ccc3OC3CCC(O[Si](C)(C)C(C)(C)C)CC3)cnn2c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 19/20 0.68
IRAK1 P51617 1/20 0.59
SYK P43405 2/20 0.54
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45

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
SCHEMBL358891 0.91 IRAK4 (0.79) IRAK4IRAK1SYKJAK2JAK1
SCHEMBL360683 0.87 IRAK4 (0.78) IRAK4IRAK1SYKJAK2JAK1
SCHEMBL359211 0.87 IRAK4 (0.63) IRAK4IRAK1SYKJAK2JAK1
SCHEMBL359098 0.87 IRAK4 (0.78) IRAK4IRAK1SYKJAK2JAK1
SCHEMBL358509 0.86 IRAK4 (0.80) IRAK4IRAK1SYKJAK2JAK1
SCHEMBL19664241 0.85 IRAK4 (0.79) IRAK4IRAK1SYKJAK2JAK1
SCHEMBL360208 0.81 IRAK4 (1.00) IRAK4IRAK1SYK
SCHEMBL10280878 0.80 IRAK4 (0.78) IRAK4IRAK1SYKJAK2JAK1
SCHEMBL359206 0.80 IRAK4 (0.79) IRAK4IRAK1SYKJAK2JAK1
SCHEMBL359831 0.80 IRAK4 (1.00) IRAK4IRAK1SYKJAK2JAK1

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-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 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-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 IRAK4 1/4885IRAK1 2/4885SYK 634/4885

“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.