SCHEMBL358950

SCHEMBL358950

COc1cc(C(=O)NCCO[Si](C)(C)C(C)(C)C)ccc1NC(=O)c1csc2cncnc12

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 16/20 0.76
MAP3K7 O43318 5/20 0.66
SYK P43405 2/20 0.53
AURKA O14965 1/20 0.53
FLT3 P36888 1/20 0.53
IRAK1 P51617 4/20 0.52

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
SCHEMBL359014 0.95 IRAK4 (0.77) IRAK4MAP3K7SYKAURKAFLT3
SCHEMBL358083 0.87 IRAK4 (1.00) IRAK4MAP3K7SYKAURKAFLT3
Hydrochloric Acid SCHEMBL359887 0.86 IRAK4 (0.98) IRAK4MAP3K7SYKAURKAFLT3
SCHEMBL357983 0.85 IRAK4 (1.00) IRAK4MAP3K7SYKAURKAFLT3
SCHEMBL358177 0.75 IRAK4 (0.76) IRAK4IRAK1
SCHEMBL357975 0.74 IRAK4 (1.00) IRAK4MAP3K7SYKAURKAFLT3
SCHEMBL359204 0.73 IRAK4 (0.77) IRAK4MAP3K7SYKAURKAFLT3
SCHEMBL16145989 0.71 TP53 (0.50)
SCHEMBL357988 0.71 TP53 (0.49)
SCHEMBL357347 0.71 IRAK4 (1.00) IRAK4MAP3K7SYKAURKAFLT3

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 1/4885MAP3K7 130/4885SYK 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.