SCHEMBL10280693

SCHEMBL10280693

CC(C)(CC1CCC(Oc2cc3ncccc3cc2[N+](=O)[O-])CC1)[Si](C)(C)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MAPT P10636 5/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
IRAK4 Q9NWZ3 3/20 0.36
SYK P43405 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
AR P10275 1/20 0.35
IRAK1 P51617 1/20 0.34
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL358226 0.83 MET (0.39) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL10280694 0.83 PDGFRB (0.39) ALDH1A1MAPTKDM4EIRAK4SYK
SCHEMBL10280688 0.78 SMN1; SMN2 (0.43) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL358817 0.71 PDGFRB (0.64) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL8001971 0.69 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL10288767 0.69 MCHR1 (0.36) AR
SCHEMBL19175420 0.68 GPR174 (0.32) ALDH1A1MAPTLMNAGAANPSR1
SCHEMBL31210956 0.65 MAPT (0.48) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL357351 0.65 MET (0.41) ALDH1A1MAPTKDM4EIRAK4SYK
SCHEMBL358428 0.65 HSP90AA1 (0.55) ALDH1A1MAPTKDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO 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 (2 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 ALDH1A1 2519/4885MAPT 1941/4885KDM4E 261/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885MAPT 1941/4885KDM4E 261/4885

“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.