SCHEMBL12505460

SCHEMBL12505460

O=C(O)c1cnn2cc(CO)cnc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PDE2A O00408 4/20 0.39
HSD11B1 P28845 1/20 0.39
STING1 Q86WV6 2/20 0.35

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
SCHEMBL359027 0.87 KDM4E (0.58) IRAK4KDM4EALDH1A1TDP1MEN1
SCHEMBL23728540 0.85 PDE2A (0.43) IRAK4KDM4EALDH1A1TDP1MEN1
SCHEMBL358957 0.84 KDM4E (0.49) IRAK4KDM4EALDH1A1TDP1MEN1
SCHEMBL18208530 0.79 PDE2A (0.45) IRAK4KDM4EALDH1A1TDP1MEN1
SCHEMBL14033681 0.78 PDE2A (0.39) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL12505413 0.77 IRAK4 (0.43) IRAK4KDM4EALDH1A1TDP1PDE2A
SCHEMBL357371 0.77 KDM4E (0.40) KDM4EALDH1A1TDP1KMT2APDE2A
SCHEMBL310362 0.76 HSD11B1 (0.49) IRAK4KDM4EALDH1A1TDP1PDE2A
SCHEMBL310126 0.76 PDE2A (0.59) KDM4EALDH1A1TDP1PDE2AHSD11B1
SCHEMBL309283 0.76 KDM4E (0.43) IRAK4KDM4EALDH1A1TDP1PDE2A

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-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
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP 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 (4 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 1/4885KDM4E 261/4885ALDH1A1 2519/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 IRAK4 1/4885KDM4E 261/4885ALDH1A1 2519/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885KDM4E 261/4885ALDH1A1 2519/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885KDM4E 261/4885ALDH1A1 2519/4885

“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.