SCHEMBL359041

SCHEMBL359041

CC(C)(C)OC(=O)NC(c1cc2ncccc2cc1NC(=O)c1csc2cncnc12)C1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 20/20 0.64
SYK P43405 7/20 0.59
AURKA O14965 1/20 0.59
MAP3K7 O43318 1/20 0.59
FLT3 P36888 1/20 0.59
IRAK1 P51617 9/20 0.56

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
SCHEMBL358721 0.92 IRAK4 (0.52) IRAK4SYKAURKAMAP3K7FLT3
SCHEMBL359394 0.80 IRAK4 (0.62) IRAK4SYKIRAK1
SCHEMBL359828 0.78 IRAK4 (0.59) IRAK4SYKIRAK1
SCHEMBL10254039 0.78 IRAK4 (1.00) IRAK4SYKAURKAMAP3K7FLT3
Hydrochloric Acid SCHEMBL358282 0.78 IRAK4 (0.98) IRAK4SYKAURKAMAP3K7FLT3
SCHEMBL359040 0.76 IRAK4 (0.76) IRAK4SYKAURKAMAP3K7FLT3
SCHEMBL358894 0.76 AAK1 (0.41) IRAK4
SCHEMBL10254006 0.76 IRAK4 (1.00) IRAK4SYKAURKAMAP3K7FLT3
SCHEMBL358234 0.75 IRAK4 (0.75) IRAK4SYKAURKAMAP3K7FLT3
SCHEMBL357756 0.75 IRAK4 (1.00) IRAK4SYKAURKAMAP3K7FLT3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US disclosed
US-9255110-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators ROCHE PALO ALTO LLC (US) 2016-02-09 US disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
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 (5 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 IRAK4 1/4885SYK 634/4885AURKA 917/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 IRAK4 1/4885SYK 634/4885AURKA 917/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885SYK 634/4885AURKA 917/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 IRAK4 1/4885SYK 634/4885AURKA 917/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885SYK 634/4885AURKA 917/4885

“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.