SCHEMBL4476072

SCHEMBL4476072

CC(=O)Nc1[nH]cc(-c2ccc([N+](=O)[O-])nc2)c1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.37
TDO2 P48775 1/20 0.37
CYP1A2 P05177 2/20 0.37
GAA P10253 1/20 0.37
DYRK1B Q9Y463 3/20 0.36
CLK1 P49759 2/20 0.36
DYRK2 Q92630 2/20 0.36
OGA O60502 1/20 0.36
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
RIPK1 Q13546 1/20 0.34
KIT P10721 1/20 0.34
NTRK1 P04629 2/20 0.33
CHEK2 O96017 1/20 0.33
MAP3K11 Q16584 2/20 0.33
RAB9A P51151 1/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL4470895 0.83 DYRK1A (0.48) DYRK1ACYP1A2GAADYRK1BCSNK2A2
SCHEMBL4479411 0.82 MAP3K11 (0.48) DYRK1ATDO2GAADYRK1BCLK1
SCHEMBL4475882 0.81 DYRK1A (0.36) DYRK1ACYP1A2DYRK1BCLK1DYRK2
SCHEMBL4486233 0.76 PKM (0.37) DYRK1ADYRK1BCLK1DYRK2NTRK1
SCHEMBL4482796 0.71 KDR (0.53) KITRAB9AMEN1KMT2A
SCHEMBL4490967 0.71 NPC1 (0.54) DYRK1ACYP1A2GAAKITNTRK1
SCHEMBL4465328 0.71 LMNA (0.46) DYRK1AGAADYRK1BMEN1MAPT
SCHEMBL4472148 0.71 IDO1 (0.46) TDO2KITRAB9AMEN1MAPT
SCHEMBL4470289 0.70 POLB (0.43) DYRK1ACYP1A2GAADYRK1BCSNK2A2
SCHEMBL4483946 0.70 CYP1A2 (0.48) DYRK1ACYP1A2DYRK1BCSNK2A2CSNK2B

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-7592365-B2 Substituted pyrroles, compositions containing same, method for making same and use thereof AVENTIS PHARMA S.A. (FR) 2009-09-22 US disclosed
US-7592365-B2 Substituted pyrroles, compositions containing same, method for making same and use thereof AVENTIS PHARMA S.A. (FR) 2009-09-22 US disclosed
EP-1851198-B1 SUBSTITUTED PYRROLES, COMPOSITIONS CONTAINING SAME, METHOD FOR MAKING SAME AND USE THEREOF AVENTIS PHARMA SA (FR) 2008-12-31 EP disclosed
US-20080167368-A1 Substituted Pyrroles, Compositions Containing Same, Method for Making Same and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-07-10 US disclosed
US-20080167368-A1 Substituted Pyrroles, Compositions Containing Same, Method for Making Same and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-07-10 US disclosed
CN-101115716-A Substituted pyrroles, compositions containing same, method for making same and use thereof AVENTIS PHARMA SA (FR) 2008-01-30 CN disclosed
EP-1851198-A1 SUBSTITUTED PYRROLES, COMPOSITIONS CONTAINING SAME, METHOD FOR MAKING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2007-11-07 EP disclosed
WO-2006084996-A1 SUBSTITUTED PYRROLES, COMPOSITIONS CONTAINING SAME, METHOD FOR MAKING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-08-17 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 (1 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-20080167368-A1 Substituted Pyrroles, Compositions Containing Same, Method for Making Same and Use Thereof PRMT1, ADPRS, RRM2B DYRK1A 1057/4885TDO2 1405/4885CYP1A2 1308/4885

“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.