SCHEMBL245768

SCHEMBL245768

COc1ccc(-c2ccn(-c3ccc(O)nc3)c2-c2ccc(C(N)=O)cc2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.45
CHEK2 O96017 3/20 0.44
MAP4K4 O95819 2/20 0.42
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
PTPN11 Q06124 4/20 0.39
NSD2 O96028 1/20 0.38
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PARP4 Q9UKK3 1/20 0.37
ACVR1 Q04771 1/20 0.37
MAPT P10636 1/20 0.37
LCK P06239 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 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
SCHEMBL243838 0.90 MAPKAPK2 (0.45) MAPKAPK2CHEK2MAP4K4PLAUPLAT
SCHEMBL242923 0.85 PTPN11 (0.46) MAPKAPK2CHEK2MAP4K4PLAUPLAT
SCHEMBL248182 0.83 CHEK2 (0.44) MAPKAPK2CHEK2MAP4K4PLAUPLAT
SCHEMBL245902 0.83 MAPKAPK2 (0.41) MAPKAPK2CHEK2MAP4K4PLAUPLAT
SCHEMBL242470 0.83 PLAU (0.40) MAPKAPK2CHEK2MAP4K4PLAUPLAT
SCHEMBL249222 0.82 SMN1; SMN2 (0.41) MAPKAPK2CHEK2MAP4K4PLAUPLAT
SCHEMBL245309 0.82 SMN1; SMN2 (0.41) MAPKAPK2CHEK2PLAUPLAT
SCHEMBL244225 0.82 CA9 (0.46) MAPKAPK2CA1CA2
SCHEMBL247043 0.82 MAPT (0.46) MAPKAPK2CHEK2MAP4K4PLAUPLAT
SCHEMBL245536 0.81 MAP4K4 (0.44) MAPKAPK2CHEK2MAP4K4PLAUPLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029402-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2015-05-12 US claimed
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2014-04-24 US claimed
US-8642628-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-02-04 US claimed
EP-2315590-B1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS LLC (US) 2012-09-26 EP claimed
JP-2012500218-A 2012-01-05 JP claimed
US-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US claimed
EP-2315590-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, LLC (US) 2011-05-04 EP claimed
WO-2010019909-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO claimed
US-9029402-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2015-05-12 US disclosed
US-9029402-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2015-05-12 US disclosed
US-9029402-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2015-05-12 US disclosed
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2014-04-24 US disclosed
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2014-04-24 US disclosed
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2014-04-24 US disclosed
US-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
EP-2315590-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, LLC (US) 2011-05-04 EP disclosed
WO-2010019909-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO disclosed
WO-2010019909-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2010-02-18 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-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR MAPKAPK2 4282/4885CHEK2 3530/4885MAP4K4 4290/4885
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR MAPKAPK2 4282/4885CHEK2 3530/4885MAP4K4 4290/4885

“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.