SCHEMBL2818267

SCHEMBL2818267

CC(C)(C)c1cc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c2c(N)n[nH]c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HSPD1 P10809 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN5 P54829 1/20 0.48
HSPE1 P61604 1/20 0.48
KIT P10721 1/20 0.48
KDR P35968 1/20 0.48
KMT2A Q03164 3/20 0.46
PGR P06401 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
PLAU P00749 1/20 0.45
LMNA P02545 1/20 0.44
TYMS P04818 1/20 0.44
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SGK1 O00141 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2816673 0.86 KIT (0.52) ALDH1A1PTPN2PTPN1PTPN5KIT
SCHEMBL2816522 0.86 KIT (0.61) ALDH1A1KITKDRSGK1
SCHEMBL2819079 0.85 KIT (0.51) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL2820064 0.84 ALDH1A1 (0.47) ALDH1A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL2820453 0.84 KIT (0.50) ALDH1A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL2228242 0.83 DYRK1A (0.40) ALDH1A1KMT2AL3MBTL1LMNAMEN1
SCHEMBL2816080 0.83 SGK1 (0.51) ALDH1A1KITKDRKMT2ALMNA
SCHEMBL2818098 0.82 KDR (0.55) KITKDRKMT2AMEN1MAPT
SCHEMBL2819281 0.81 SGK1 (0.49) KITKDRSGK1
SCHEMBL2816535 0.76 SGK1 (0.54) SGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842809-B2 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER SCHERING PHARMA AG (DE) 2010-11-30 US claimed
EP-1841767-A1 PYRAZOLOPYRIDINES, THEIR PREPARATION AND THEIR MEDICAL USE Bayer Schering Pharma AG (DE) 2007-10-10 EP claimed
US-20060252754-A1 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-11-09 US claimed
WO-2006077168-A1 PYRAZOLOPYRIDINES, THEIR PREPARATION AND THEIR MEDICAL USE BAYER SCHERING PHARMA AG. (DE) 2006-07-27 WO claimed
US-7842809-B2 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER SCHERING PHARMA AG (DE) 2010-11-30 US disclosed
US-7842809-B2 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER SCHERING PHARMA AG (DE) 2010-11-30 US disclosed
EP-1841767-A1 PYRAZOLOPYRIDINES, THEIR PREPARATION AND THEIR MEDICAL USE Bayer Schering Pharma AG (DE) 2007-10-10 EP disclosed
US-20060252754-A1 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-11-09 US disclosed
WO-2006077168-A1 PYRAZOLOPYRIDINES, THEIR PREPARATION AND THEIR MEDICAL USE BAYER SCHERING PHARMA AG. (DE) 2006-07-27 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-20060252754-A1 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same TEK, TIE1, KDR ALDH1A1 1626/4885HSPD1 4052/4885PTPN2 95/4885

“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.