SCHEMBL14033080

SCHEMBL14033080

O=C(O)c1cnn2cc(B(O)O)cnc12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE2A O00408 7/20 0.39
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR4A3 Q92570 1/20 0.33
HSD11B1 P28845 4/20 0.32

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
SCHEMBL14033079 0.80 ALDH1A1 (0.53) KDM4EALDH1A1POLB
SCHEMBL4564181 0.78 PDE2A (0.42) KDM4EALDH1A1PDE2AHSD11B1
SCHEMBL12505413 0.77 IRAK4 (0.43) KDM4EALDH1A1TDP1PDE2APOLB
SCHEMBL15333599 0.77 LPL (0.32) PDE2A
SCHEMBL310126 0.76 PDE2A (0.59) KDM4EALDH1A1TDP1PDE2AHSD11B1
SCHEMBL310362 0.76 HSD11B1 (0.49) KDM4EALDH1A1TDP1PDE2AHSD11B1
SCHEMBL28667748 0.76 KDM4E (0.41) KDM4EALDH1A1TDP1PDE2APOLB
SCHEMBL309283 0.76 KDM4E (0.43) KDM4EALDH1A1TDP1PDE2A
SCHEMBL310187 0.76 KDM4E (0.43) KDM4EALDH1A1TDP1PDE2APOLB
SCHEMBL23728540 0.75 PDE2A (0.43) KDM4EALDH1A1TDP1PDE2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 US disclosed
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 US disclosed
EP-3642204-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2020-04-29 EP disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 US disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 US disclosed
WO-2018234345-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2018-12-27 WO disclosed
US-20080255153-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-10-16 US disclosed
US-20080255153-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-10-16 US disclosed
WO-2008116898-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE BIOVITRUM AB (PUBL) (SE) 2008-10-02 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 (3 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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 KDM4E 379/4885ALDH1A1 1232/4885TDP1 144/4885
US-20080255153-A1 New compounds SCD, SCD5, FADS2 KDM4E 1192/4885ALDH1A1 1498/4885TDP1 2450/4885
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 KDM4E 379/4885ALDH1A1 1232/4885TDP1 144/4885

“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.