SCHEMBL357398

SCHEMBL357398

O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cnn2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 16/20 0.72
EPHB3 P54753 3/20 0.59
RIPK2 O43353 1/20 0.59
LCK P06239 1/20 0.59
IRAK1 P51617 3/20 0.58
SYK P43405 2/20 0.56
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL358384 0.84 IRAK4 (1.00) IRAK4IRAK1SYK
SCHEMBL358011 0.84 IRAK4 (1.00) IRAK4IRAK1SYK
SCHEMBL358837 0.83 IRAK4 (1.00) IRAK4IRAK1SYK
SCHEMBL16155878 0.80 IRAK4 (1.00) IRAK4EPHB3RIPK2LCKIRAK1
SCHEMBL358383 0.78 IRAK4 (0.77) IRAK4IRAK1SYK
SCHEMBL20198469 0.77 KMT2A (0.72) ALDH1A1
SCHEMBL22170113 0.75 EPHB3 (1.00) EPHB3RIPK2LCK
SCHEMBL358198 0.75 IRAK4 (0.79) IRAK4IRAK1SYK
SCHEMBL359099 0.75 IRAK4 (1.00) IRAK4IRAK1SYK
SCHEMBL358212 0.75 IRAK4 (1.00) IRAK4IRAK1SYK

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 1/4885EPHB3 2943/4885RIPK2 93/4885

“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.