SCHEMBL6478452

SCHEMBL6478452

Nc1n[nH]c2c(F)c(N3CCOCC3)c([N+](=O)[O-])cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 2/20 0.42
HTT P42858 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSB P07858 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 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
SCHEMBL6479421 0.81 PDPK1 (0.39) MAPTKMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL6488798 0.79 CA12 (0.38) MAPTL3MBTL1KMT2AALDH1A1CYP1A2
SCHEMBL1462423 0.78 GSK3B (0.46) MAPTALDH1A1CYP1A2HTTLMNA
SCHEMBL6477758 0.77 CCNE2 (0.37) MAPTL3MBTL1KMT2AALDH1A1CYP1A2
SCHEMBL30206335 0.69 MAPT (0.57) MAPTL3MBTL1KMT2AALDH1A1CYP1A2
SCHEMBL8095201 0.69 MAPT (0.50) MAPTL3MBTL1KMT2AALDH1A1CYP1A2
SCHEMBL6511388 0.69 MAPT (0.57) MAPTL3MBTL1KMT2AALDH1A1CYP1A2
SCHEMBL8306007 0.69 MAPT (0.53) MAPTL3MBTL1KMT2AALDH1A1CYP1A2
SCHEMBL27623436 0.69 DRD2 (0.32)
SCHEMBL8104325 0.68 CTSB (0.59) MAPTL3MBTL1ALDH1A1CYP1A2CYP2C9

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
CN-101962365-A Aminoindazole derivatives as protein-kinase inhibitors AVENTIS PHARMA SA 2011-02-02 CN claimed
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US claimed
CN-1656078-A Aminoindazole derivatives as protein kinase inhibitors AVENTIS PHARMA SA (FR) 2005-08-17 CN claimed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 US claimed
EP-1377573-A2 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-01-07 EP claimed
WO-2002048148-A2 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-06-20 WO claimed
EP-1487804-B1 AMINOINDAZOLE DERIVATIVES AS PROTEIN-KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2014-02-26 EP disclosed
CN-101962365-A Aminoindazole derivatives as protein-kinase inhibitors AVENTIS PHARMA SA 2011-02-02 CN disclosed
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US disclosed
CN-1656078-A Aminoindazole derivatives as protein kinase inhibitors AVENTIS PHARMA SA (FR) 2005-08-17 CN disclosed
EP-1487804-A2 AMINOINDAZOLE DERIVATIVES AS PROTEIN-KINASE INHIBITORS Aventis Pharma S.A. (FR) 2004-12-22 EP disclosed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 US disclosed
WO-2003078403-A2 DERIVES D’AMINOINDAZOLES COMME INHIBITEURS DE PROTEINE-KINASE AVENTIS PHARMA S.A. (FR) 2003-09-25 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-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof CYP2C8, NR0B2, NR2C2 MAPT 4462/4885L3MBTL1 4736/4885KMT2A 2804/4885

“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.