SCHEMBL2820453

SCHEMBL2820453

Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(C(C)(C)C)nc4[nH]nc(N)c34)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.50
KDR P35968 2/20 0.50
SGK1 O00141 5/20 0.49
PTPN2 P17706 2/20 0.46
PTPN1 P18031 2/20 0.46
PTPN5 P54829 2/20 0.46
HSPD1 P10809 1/20 0.46
HSPE1 P61604 1/20 0.46
ALDH1A1 P00352 4/20 0.45
NPY5R Q15761 1/20 0.45
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
ACR P10323 1/20 0.44
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
RORC P51449 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL2816522 0.92 KIT (0.61) KITKDRSGK1ALDH1A1NPY5R
SCHEMBL2816673 0.90 KIT (0.52) KITKDRSGK1PTPN2PTPN1
SCHEMBL2816080 0.88 SGK1 (0.51) KITKDRSGK1ALDH1A1GAA
SCHEMBL2819281 0.88 SGK1 (0.49) KITKDRSGK1
SCHEMBL2228840 0.87 KDR (0.42) KITKDRSGK1KDM4EHPGD
SCHEMBL2819079 0.85 KIT (0.51) KITKDRSGK1PTPN2PTPN1
SCHEMBL2818267 0.84 ALDH1A1 (0.48) KITKDRSGK1PTPN2PTPN1
SCHEMBL2819157 0.84 KIT (0.47) KITKDRSGK1PTPN2PTPN1
SCHEMBL2816535 0.83 SGK1 (0.54) SGK1RORC
SCHEMBL2817289 0.83 KDR (0.60) KITKDRIKBKBCHUK

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 10 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

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.