SCHEMBL2816522

SCHEMBL2816522

CC(C)(C)c1cc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)c2c(N)n[nH]c2n1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.61
KDR P35968 1/20 0.61
SGK1 O00141 15/20 0.57
KEAP1 Q14145 1/20 0.43
NPY5R Q15761 1/20 0.43
BTK Q06187 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 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
SCHEMBL2820453 0.92 KIT (0.50) KITKDRSGK1NPY5RALDH1A1
SCHEMBL2816673 0.90 KIT (0.52) KITKDRSGK1ALDH1A1HPGD
SCHEMBL2819079 0.89 KIT (0.51) KITKDRSGK1
SCHEMBL2819281 0.88 SGK1 (0.49) KITKDRSGK1
SCHEMBL2816080 0.86 SGK1 (0.51) KITKDRSGK1ALDH1A1HPGD
SCHEMBL2818267 0.86 ALDH1A1 (0.48) KITKDRSGK1ALDH1A1
SCHEMBL2816535 0.83 SGK1 (0.54) SGK1
SCHEMBL2819284 0.82 KDR (0.58) KITKDR
SCHEMBL2816184 0.82 KIT (0.59) KITKDRSGK1KEAP1NPY5R
SCHEMBL2821071 0.81 KDR (0.54) KITKDR

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 11 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
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
EP-1683796-A1 Pyrazolopyridines, their preparation and their medical use Schering Aktiengesellschaft (DE) 2006-07-26 EP 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 KIT 8/4885KDR 3/4885SGK1 2534/4885

“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.