SCHEMBL2469626

SCHEMBL2469626

CC(C)(C)OC(=O)n1nc(CBr)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.44
F2 P00734 5/20 0.44
PLAU P00749 5/20 0.44
CTRB1 P17538 5/20 0.44
KLKB1 P03952 1/20 0.44
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CNR2 P34972 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CNR1 P21554 1/20 0.38
ACHE P22303 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAP2K4 P45985 1/20 0.37
F2R P25116 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
F2RL3 Q96RI0 1/20 0.37

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
SCHEMBL27730187 0.91 ELANE (0.43) ELANEF2PLAUCTRB1KLKB1
SCHEMBL2922296 0.91 ELANE (0.41) ELANEF2PLAUCTRB1KLKB1
SCHEMBL1457094 0.85 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1
SCHEMBL29508910 0.85 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1
SCHEMBL29508852 0.85 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1
SCHEMBL2861095 0.85 ELANE (0.50) ELANEF2PLAUCTRB1KLKB1
SCHEMBL2144637 0.84 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1
SCHEMBL30123629 0.84 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1
SCHEMBL2573606 0.83 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1
SCHEMBL1456636 0.83 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1

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
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 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 (2 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-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 ELANE 3367/4885F2 4355/4885PLAU 4280/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 ELANE 3980/4885F2 4067/4885PLAU 4371/4885

“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.