SCHEMBL1978086

SCHEMBL1978086

O=C(O)Nc1cc(CCOc2ccc([N+](=O)[O-])c3ccccc23)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.48
HCK P08631 7/20 0.48
MAPK12 P53778 6/20 0.48
POLB P06746 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
NR3C2 P08235 4/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
CYP19A1 P11511 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1978082 1.00 MAPK14 (0.48) MAPK14HCKMAPK12POLBNPC1
SCHEMBL2572968 0.92 HCK (0.52) MAPK14HCKMAPK12POLBNPC1
SCHEMBL2405629 0.87 MAPK14 (0.48) MAPK14HCKMAPK12POLBNPC1
SCHEMBL2548864 0.85 HCK (0.43) MAPK14HCKMAPK12POLBNPC1
SCHEMBL2309465 0.84 POLB (0.45) MAPK14HCKMAPK12POLBNPC1
SCHEMBL2309475 0.84 POLB (0.45) MAPK14HCKMAPK12POLBNPC1
SCHEMBL1979137 0.84 NR3C2 (0.51) MAPK14HCKMAPK12NR3C2TNF
SCHEMBL1981083 0.83 POLB (0.46) POLBNPC1RAB9ASMN1; SMN2NR3C2
SCHEMBL1981080 0.83 POLB (0.46) POLBNPC1RAB9ASMN1; SMN2NR3C2
SCHEMBL13331035 0.81 SMN1; SMN2 (0.46) MAPK14HCKMAPK12POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370428-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2016-08-10 EP disclosed
US-8975285-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2015-03-10 US disclosed
US-20140114064-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2014-04-24 US disclosed
EP-2350049-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2014-02-26 EP disclosed
US-8618140-B2 P38 MAP kinase inhibitors RESPIVERT LTD (GB) 2013-12-31 US disclosed
EP-2556067-A2 PYRAZOLYL UREAS AS P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2013-02-13 EP disclosed
US-20130012512-A1 P38 MAP kinase inhibitors ITO KAZUHIRO (GB) 2013-01-10 US disclosed
US-8299073-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-30 US disclosed
US-8293748-B2 p38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-23 US disclosed
EP-2509595-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION Respivert Limited (GB) 2012-10-17 EP disclosed
US-20110294812-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2011-12-01 US disclosed
WO-2011124923-A2 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2011-10-13 WO disclosed
EP-2370428-A1 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2011-10-05 EP disclosed
US-20110212962-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2011-09-01 US disclosed
EP-2350049-A2 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2011-08-03 EP disclosed
WO-2011070368-A1 ANTIVIRAL USE OF UREA COMPOUNDS RESPIVERT LIMITED (GB) 2011-06-16 WO disclosed
WO-2011070369-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LIMITED (GB) 2011-06-16 WO disclosed
WO-2010067131-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2010-06-17 WO disclosed
WO-2010038086-A2 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2010-04-08 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-20110294812-A1 P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 MAPK14 10/4885HCK 348/4885MAPK12 13/4885
US-20130012512-A1 P38 MAP kinase inhibitors MAPK1, MAPK3, MAPK6 MAPK14 33/4885HCK 2830/4885MAPK12 31/4885
US-20110212962-A1 P38 MAP KINASE INHIBITORS MAPK1, MAPK3, MAPK6 MAPK14 33/4885HCK 2830/4885MAPK12 31/4885
US-20140114064-A1 P38 MAP KINASE INHIBITORS MAPK1, MAPK3, MAPK6 MAPK14 33/4885HCK 2830/4885MAPK12 31/4885

“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.