SCHEMBL2818334

SCHEMBL2818334

CC(C)(C)c1cc(-c2ccc(NC(=O)Nc3ccccc3F)cc2)c(C#N)c(OS(=O)(=O)C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
SQOR Q9Y6N5 1/20 0.45
GAA P10253 1/20 0.44
IDH2 P48735 2/20 0.43
CYP1A2 P05177 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
MAPT P10636 2/20 0.42
KDR P35968 5/20 0.41
MET P08581 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 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 0.92 MEN1 (0.52) MEN1ALDH1A1HPGDKMT2ASQOR
SCHEMBL2819357 0.91 SQOR (0.48) MEN1ALDH1A1HPGDKMT2ASQOR
SCHEMBL2819969 0.91 SQOR (0.48) MEN1ALDH1A1HPGDKMT2ASQOR
SCHEMBL2820302 0.90 KMT2A (0.46) MEN1ALDH1A1HPGDKMT2ASQOR
SCHEMBL2816408 0.90 SQOR (0.57) MEN1ALDH1A1HPGDKMT2ASQOR
SCHEMBL2817320 0.89 SQOR (0.47) MEN1ALDH1A1HPGDKMT2ASQOR
SCHEMBL2817281 0.88 MEN1 (0.46) MEN1ALDH1A1HPGDKMT2ASQOR
SCHEMBL2819488 0.88 MEN1 (0.44) MEN1ALDH1A1HPGDKMT2ASQOR
SCHEMBL2822200 0.88 SQOR (0.47) MEN1ALDH1A1HPGDKMT2ASQOR
SCHEMBL2816422 0.87 SQOR (0.48) MEN1ALDH1A1HPGDKMT2ASQOR

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 1626/4885HPGD 1121/4885

“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.