SCHEMBL1903906

SCHEMBL1903906

COc1ccc(-c2ccn(CCc3nnn[nH]3)c2-c2ccc(C#N)cc2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
GRM2 Q14416 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
KDM1A O60341 2/20 0.33
SNCA P37840 1/20 0.33
CYP11B2 P19099 1/20 0.32
EGLN1 Q9GZT9 4/20 0.32
TDP2 O95551 1/20 0.32
PDE5A O76074 1/20 0.32
NSD2 O96028 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
MAPK8 P45983 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL244538 0.82 MAPKAPK2 (0.38) MAPKAPK2NSD2MAPK8CAMKK2
SCHEMBL1828357 0.81 GRM2 (0.42) HRH2HRH1GRM2MAPKAPK2FNTA
SCHEMBL1829684 0.76 HRH2 (0.45) HRH2HRH1GRM2MAPKAPK2FNTA
SCHEMBL246345 0.73 MAPKAPK2 (0.39) MAPKAPK2NSD2
SCHEMBL1828903 0.73 GRM2 (0.38) HRH2HRH1GRM2MAPKAPK2FNTA
SCHEMBL1829979 0.72 HRH2 (0.40) HRH2HRH1GRM2EGLN1NSD2
SCHEMBL7229011 0.71 HRH2 (0.47) HRH2HRH1MAPKAPK2KDM1ASNCA
SCHEMBL1829683 0.67 HRH2 (0.44) HRH2HRH1GRM2FNTAFNTB
SCHEMBL1829774 0.67 HRH2 (0.41) HRH2HRH1GRM2MAPT
SCHEMBL1828937 0.66 HRH2 (0.40) HRH2HRH1KDM1ANSD2EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846736-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20140194481-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20130253024-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-8470857-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
EP-2318007-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS INC (US) 2013-01-23 EP disclosed
US-20110136881-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
EP-2318007-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-11 EP disclosed
WO-2010019905-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS 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 (3 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-20130253024-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR HRH2 4034/4885HRH1 4369/4885GRM2 319/4885
US-20110136881-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR HRH2 4034/4885HRH1 4369/4885GRM2 319/4885
US-20140194481-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR HRH2 4034/4885HRH1 4369/4885GRM2 319/4885

“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.