SCHEMBL2818396

SCHEMBL2818396

Cc1cccc(NC(=O)Nc2ccc(-c3cc(C(C)(C)C)nc(OS(=O)(=O)C(F)(F)F)c3C#N)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.46
MET P08581 4/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
LDHA P00338 1/20 0.44
SQOR Q9Y6N5 1/20 0.43
IMPDH2 P12268 1/20 0.42
FLT3 P36888 7/20 0.41
CSF1R P07333 4/20 0.41
FLT1 P17948 4/20 0.41
RPS6KB1 P23443 4/20 0.41
FLT4 P35916 4/20 0.41
AURKB Q96GD4 4/20 0.41
AURKA O14965 3/20 0.41
ROCK2 O75116 3/20 0.41
RPS6KA3 P51812 2/20 0.41
STK3 Q13188 2/20 0.41
ROCK1 Q13464 2/20 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
SCHEMBL2820135 0.93 MEN1 (0.52) KDRMETMEN1ALDH1A1HPGD
SCHEMBL2816422 0.92 SQOR (0.48) KDRMETMEN1ALDH1A1HPGD
SCHEMBL2819593 0.91 MEN1 (0.47) KDRMEN1ALDH1A1HPGDKMT2A
SCHEMBL2817281 0.89 MEN1 (0.46) KDRMETMEN1ALDH1A1HPGD
SCHEMBL2822200 0.89 SQOR (0.47) KDRMETMEN1ALDH1A1HPGD
SCHEMBL2816408 0.89 SQOR (0.57) KDRMETMEN1ALDH1A1HPGD
SCHEMBL2817320 0.88 SQOR (0.47) KDRMETMEN1ALDH1A1HPGD
SCHEMBL2820302 0.86 KMT2A (0.46) KDRMETMEN1ALDH1A1HPGD
SCHEMBL2818334 0.86 MEN1 (0.47) KDRMETMEN1ALDH1A1HPGD
SCHEMBL2816979 0.85 SQOR (0.45) KDRMETMEN1ALDH1A1HPGD

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
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 KDR 3/4885MET 1371/4885MEN1 357/4885

“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.