SCHEMBL2818322

SCHEMBL2818322

CC(C)(C)c1cc(-c2ccc(NC(=O)Nc3ccccc3)cc2)c(C#N)c(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.71
KDR P35968 14/20 0.71
MAPK14 Q16539 1/20 0.47
ATM Q13315 1/20 0.47
PIM1 P11309 2/20 0.46
BIRC5 O15392 1/20 0.45

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
SCHEMBL15492448 0.84 ATM (0.64) METKDRATMPIM1BIRC5
SCHEMBL2819537 0.81 KDR (0.46) METKDRATMPIM1BIRC5
SCHEMBL2200660 0.79 ATM (0.51) METKDRATMPIM1BIRC5
SCHEMBL2199412 0.78 KDM4E (0.54) METKDRATMPIM1BIRC5
SCHEMBL2198100 0.78 GLA (0.54) METKDRATMPIM1BIRC5
SCHEMBL2201233 0.75 GSTP1 (0.51) METKDRATMPIM1
SCHEMBL2199168 0.74 KDM4E (0.55) METKDRATMPIM1BIRC5
SCHEMBL2202978 0.74 PIM1 (0.50) ATMPIM1BIRC5
SCHEMBL2203894 0.73 KDR (0.53) METKDRATMPIM1BIRC5
SCHEMBL2201226 0.72 KDM4E (0.50) ATMPIM1BIRC5

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 MET 1371/4885KDR 3/4885MAPK14 986/4885

“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.