SCHEMBL359626

SCHEMBL359626

CC(C)(C)[Si](C)(C)OC1CCC(Oc2cc3ncccc3cc2N)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
CASP6 P55212 1/20 0.39
MET P08581 2/20 0.38
IRAK4 Q9NWZ3 7/20 0.35
IRAK1 P51617 2/20 0.35
SYK P43405 2/20 0.35
MCHR1 Q99705 3/20 0.34
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
PDE10A Q9Y233 3/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL357351 0.93 MET (0.41) PDGFRBPDGFRACASP6METIRAK4
Hydrochloric Acid SCHEMBL16146345 0.79 IRAK4 (0.48) PDGFRBPDGFRACASP6IRAK4IRAK1
Hydrochloric Acid SCHEMBL16146575 0.79 IRAK4 (0.48) PDGFRBPDGFRACASP6IRAK4IRAK1
Hydrochloric Acid SCHEMBL16147109 0.79 IRAK4 (0.48) PDGFRBPDGFRACASP6IRAK4IRAK1
SCHEMBL358887 0.79 MCHR1 (0.38) METMCHR1
SCHEMBL358339 0.79 PDGFRB (0.38) PDGFRBPDGFRACASP6METIRAK4
SCHEMBL16146675 0.79 PDGFRB (0.38) PDGFRBPDGFRACASP6METIRAK4
SCHEMBL358338 0.79 PDGFRB (0.38) PDGFRBPDGFRACASP6METIRAK4
SCHEMBL10280694 0.77 PDGFRB (0.39) PDGFRBPDGFRACASP6IRAK4IRAK1
SCHEMBL10288041 0.77 IRAK4 (0.50) PDGFRBPDGFRACASP6IRAK4IRAK1

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 PDGFRB 772/4885PDGFRA 763/4885CASP6 1505/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 PDGFRB 772/4885PDGFRA 763/4885CASP6 1505/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 PDGFRB 772/4885PDGFRA 763/4885CASP6 1505/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 PDGFRB 772/4885PDGFRA 763/4885CASP6 1505/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 PDGFRB 772/4885PDGFRA 763/4885CASP6 1505/4885

“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.