SCHEMBL358763

SCHEMBL358763

Nc1cc(CO)ccc1N1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 2/20 0.59
KDM4E B2RXH2 6/20 0.56
GAA P10253 6/20 0.56
ALDH1A1 P00352 6/20 0.56
HTT P42858 4/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
POLB P06746 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
HSD17B10 Q99714 2/20 0.55
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KEAP1 Q14145 1/20 0.50
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
ALOX15 P16050 2/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL12837764 0.83 ALDH1A1 (0.60) S100BKDM4EGAAALDH1A1HTT
SCHEMBL13542495 0.83 ALDH1A1 (0.60) S100BKDM4EGAAALDH1A1HTT
SCHEMBL14336200 0.82 KDM2B (0.41) S100BKDM4EGAAALDH1A1HTT
SCHEMBL3089109 0.81 KDM4E (0.43) S100BKDM4EGAAALDH1A1HTT
SCHEMBL3073387 0.81 GAA (0.59) KDM4EGAAALDH1A1HTTL3MBTL1
SCHEMBL7913896 0.81 ALDH1A1 (0.56) KDM4EGAAALDH1A1HTTLMNA
SCHEMBL23043757 0.80 S100B (0.56) S100BKDM4EGAAALDH1A1HTT
SCHEMBL195138 0.79 ALDH1A1 (0.55) S100BKDM4EGAAALDH1A1HTT
SCHEMBL4058300 0.79 ALDH1A1 (0.54) GAAALDH1A1HTTRAB9ANPC1
SCHEMBL10088504 0.79 ALDH1A1 (0.53) S100BGAAALDH1A1HTTPOLB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-7429603-B2 Such as 5-nitro-furan-2-carboxylic acid (2-piperidin-1-yl-phenyl)-amide; diabetes, angiogenesis, psoriasis, restenosis, schizophrenia, rheumatoid arthritis, cardiovascular disease, cancer 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2008-09-30 US claimed
US-20050004112-A1 C-fms kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-01-06 US 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
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
US-7790724-B2 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-07 US disclosed
EP-2016057-A1 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-21 EP disclosed
US-7429603-B2 Such as 5-nitro-furan-2-carboxylic acid (2-piperidin-1-yl-phenyl)-amide; diabetes, angiogenesis, psoriasis, restenosis, schizophrenia, rheumatoid arthritis, cardiovascular disease, cancer 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
WO-2007123516-A1 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 WO disclosed
US-20060258666-A1 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-16 US disclosed
US-20050004112-A1 C-fms kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-01-06 US 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 (6 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 S100B 4464/4885KDM4E 261/4885GAA 4543/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 S100B 4464/4885KDM4E 261/4885GAA 4543/4885
US-20060258666-A1 c-fms kinase inhibitors FLT3, FES, FER S100B 1080/4885KDM4E 1464/4885GAA 4492/4885
US-20050004112-A1 C-fms kinase inhibitors FLT3, FGR, FER S100B 1165/4885KDM4E 1258/4885GAA 4304/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 S100B 4464/4885KDM4E 261/4885GAA 4543/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 S100B 4464/4885KDM4E 261/4885GAA 4543/4885

“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.