SCHEMBL359845

SCHEMBL359845

COc1c(NC(=O)c2cnn3cccnc23)ccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 18/20 0.69
LMNA P02545 1/20 0.66
IRAK1 P51617 1/20 0.62
JAK2 O60674 1/20 0.58
JAK1 P23458 1/20 0.58
TYK2 P29597 1/20 0.58
JAK3 P52333 1/20 0.58

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
SCHEMBL358235 0.82 IRAK4 (0.69) IRAK4LMNAIRAK1
SCHEMBL359927 0.82 IRAK4 (1.00) IRAK4LMNAIRAK1
SCHEMBL359354 0.81 IRAK4 (1.00) IRAK4IRAK1JAK2JAK1TYK2
SCHEMBL28264009 0.78 IRAK4 (0.67) IRAK4LMNA
SCHEMBL359977 0.77 IRAK4 (1.00) IRAK4IRAK1
SCHEMBL360671 0.77 IRAK4 (0.84) IRAK4IRAK1
SCHEMBL359711 0.77 IRAK4 (1.00) IRAK4LMNAIRAK1
SCHEMBL358955 0.77 IRAK4 (1.00) IRAK4IRAK1
SCHEMBL357383 0.77 IRAK4 (1.00) IRAK4LMNAIRAK1
SCHEMBL358924 0.76 IRAK4 (1.00) IRAK4LMNAIRAK1

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 1/4885LMNA 2020/4885IRAK1 2/4885

“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.