SCHEMBL357955

SCHEMBL357955

CN(CCO)c1ccc(Cl)cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 3/20 0.41
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
SLC9A5 Q14940 2/20 0.38
FSCN1 Q16658 1/20 0.38
ABL1 P00519 1/20 0.37
STK4 Q13043 1/20 0.36

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
SCHEMBL358981 0.90 GAA (0.54) GAAKMT2AALDH1A1CYP3A4ALOX15
SCHEMBL5373971 0.82 ALDH1A1 (0.41) GAAKMT2AALDH1A1CYP3A4ALOX15
SCHEMBL1265202 0.81 KMT2A (0.56) GAAKMT2AALDH1A1CYP3A4ALOX15
SCHEMBL30660966 0.79 ALDH1A1 (0.39) GAAKMT2AALDH1A1MAPK1HPGD
SCHEMBL594693 0.79 ALDH1A1 (0.39) GAAKMT2AALDH1A1MAPK1HPGD
SCHEMBL6577756 0.79 SIGMAR1 (0.43) GAAKMT2AALDH1A1CYP3A4SMN1; SMN2
SCHEMBL12505364 0.78 ALDH1A1 (0.47) GAAKMT2AALDH1A1CYP3A4HPGD
SCHEMBL6816397 0.76 CYP3A4 (0.41) GAAKMT2AALDH1A1CYP3A4ALOX15
SCHEMBL2230513 0.75 GAA (0.96) GAAKMT2AALDH1A1CYP3A4ALOX15
SCHEMBL5644749 0.75 GAA (0.56) GAAKMT2AALDH1A1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP claimed
CN-110003219-A Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator 弗·哈夫曼-拉罗切有限公司 2019-07-12 CN disclosed
CN-105367577-B Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator 弗·哈夫曼-拉罗切有限公司 2019-04-23 CN disclosed
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 GAA 4543/4885KMT2A 597/4885ALDH1A1 2519/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 GAA 4543/4885KMT2A 597/4885ALDH1A1 2519/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 GAA 4543/4885KMT2A 597/4885ALDH1A1 2519/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 GAA 4543/4885KMT2A 597/4885ALDH1A1 2519/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 GAA 4543/4885KMT2A 597/4885ALDH1A1 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.