SCHEMBL358675

SCHEMBL358675

CC(C)(C)OC(=O)NC(c1cc2ncccc2cc1[N+](=O)[O-])C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.39
POLB P06746 2/20 0.36
PRKDC P78527 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
CYP3A4 P08684 1/20 0.34
SCN9A Q15858 1/20 0.34
AKT1 P31749 3/20 0.33
ALDH1A1 P00352 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
KDM4E B2RXH2 3/20 0.33
CDK2 P24941 1/20 0.33
NSD2 O96028 1/20 0.33
SETD2 Q9BYW2 1/20 0.33
MAPT P10636 1/20 0.32
GSTP1 P09211 1/20 0.32
GSTM2 P28161 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
ALOX12 P18054 1/20 0.32
RAB9A P51151 1/20 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
SCHEMBL358894 0.86 AAK1 (0.41) AAK1POLBPRKDCTRPM8CYP3A4
SCHEMBL358721 0.76 IRAK4 (0.52) IRAK4
SCHEMBL358098 0.76 ALDH1A1 (0.46) POLBCYP3A4AKT1ALDH1A1CDK2
SCHEMBL359394 0.75 IRAK4 (0.62) IRAK4
SCHEMBL359828 0.73 IRAK4 (0.59) IRAK4
SCHEMBL359041 0.73 IRAK4 (0.64) IRAK4
SCHEMBL5652485 0.72 SLC6A3 (0.43) AAK1ALDH1A1KDM4EMAPTNPC1
SCHEMBL6066440 0.70 AAK1 (0.44) AAK1AKT1CDK2
SCHEMBL3199662 0.70 AAK1 (0.41) AAK1
SCHEMBL6066725 0.70 AAK1 (0.44) AAK1AKT1CDK2

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 10 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
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 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 (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 AAK1 402/4885POLB 1848/4885PRKDC 1748/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 AAK1 402/4885POLB 1848/4885PRKDC 1748/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 AAK1 402/4885POLB 1848/4885PRKDC 1748/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 AAK1 402/4885POLB 1848/4885PRKDC 1748/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 AAK1 402/4885POLB 1848/4885PRKDC 1748/4885

“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.