SCHEMBL6486707

SCHEMBL6486707

CCCC(=O)Nc1n[nH]c2c(F)c(NCCc3ccccc3)c([N+](=O)[O-])cc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.53
CDK2 P24941 3/20 0.53
CDK1 P06493 2/20 0.53
MAPT P10636 5/20 0.43
GSK3A P49840 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MAP4K4 O95819 1/20 0.41
LIMK1 P53667 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
STK17A Q9UEE5 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL1460389 0.82 GSK3B (0.53) GSK3BCDK2CDK1MAPTGSK3A
SCHEMBL1461369 0.81 GSK3B (0.55) GSK3BCDK2CDK1GSK3AMAP4K4
SCHEMBL6630143 0.73 GSK3B (0.57) GSK3BCDK2CDK1GSK3A
SCHEMBL1461697 0.72 GSK3B (0.82) GSK3BCDK2CDK1GSK3AMAP4K4
SCHEMBL1462423 0.71 GSK3B (0.46) GSK3BCDK2CDK1MAPTGSK3A
SCHEMBL6488081 0.71 GSK3B (0.49) GSK3BCDK2CDK1GSK3AMAP4K4
SCHEMBL6478206 0.71 GSK3B (0.53) GSK3BCDK2CDK1MAPTGSK3A
SCHEMBL27604464 0.69 GSK3B (0.43) GSK3BCDK2CDK1MAP4K4LIMK1
SCHEMBL1461503 0.68 GSK3B (0.59) GSK3BCDK2CDK1GSK3AMAP4K4
SCHEMBL1377394 0.68 GSK3B (0.58) GSK3BCDK2CDK1GSK3AMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GSK3B 2342/4885CDK2 1677/4885CDK1 2364/4885

“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.