SCHEMBL2820135

SCHEMBL2820135

CC(C)(C)c1cc(-c2ccc(NC(=O)Nc3ccccc3)cc2)c(C#N)c(OS(=O)(=O)C(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.52
MET P08581 11/20 0.48
KDR P35968 11/20 0.48
SQOR Q9Y6N5 1/20 0.47
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
IDO1 P14902 1/20 0.39
LMNA P02545 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38

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
SCHEMBL2817281 0.94 MEN1 (0.46) MEN1ALDH1A1KMT2AHPGDMET
SCHEMBL2816408 0.94 SQOR (0.57) MEN1ALDH1A1KMT2AHPGDMET
SCHEMBL2822200 0.94 SQOR (0.47) MEN1ALDH1A1KMT2AHPGDMET
SCHEMBL2818396 0.93 KDR (0.46) MEN1ALDH1A1KMT2AHPGDMET
SCHEMBL2816422 0.93 SQOR (0.48) MEN1ALDH1A1KMT2AHPGDMET
SCHEMBL2819593 0.92 MEN1 (0.47) MEN1ALDH1A1KMT2AHPGDKDR
SCHEMBL2818334 0.92 MEN1 (0.47) MEN1ALDH1A1KMT2AHPGDMET
SCHEMBL2817320 0.91 SQOR (0.47) MEN1ALDH1A1KMT2AHPGDMET
SCHEMBL2820302 0.91 KMT2A (0.46) MEN1ALDH1A1KMT2AHPGDMET
SCHEMBL2819488 0.89 MEN1 (0.44) MEN1ALDH1A1KMT2AHPGDMET

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 MEN1 357/4885ALDH1A1 1626/4885KMT2A 1739/4885

“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.