SCHEMBL2822200

SCHEMBL2822200

CC(C)(C)c1cc(-c2ccc(NC(=O)Nc3ccc(C#N)cc3)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
SQOR Q9Y6N5 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
MET P08581 4/20 0.41
KDR P35968 4/20 0.41
P2RY1 P47900 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
NAMPT P43490 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39

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 0.94 MEN1 (0.52) SQORMEN1KMT2AALDH1A1HPGD
SCHEMBL2816408 0.93 SQOR (0.57) SQORMEN1KMT2AALDH1A1HPGD
SCHEMBL2817320 0.90 SQOR (0.47) SQORMEN1KMT2AALDH1A1HPGD
SCHEMBL2817281 0.89 MEN1 (0.46) SQORMEN1KMT2AALDH1A1HPGD
SCHEMBL2818396 0.89 KDR (0.46) SQORMEN1KMT2AALDH1A1HPGD
SCHEMBL2816422 0.89 SQOR (0.48) SQORMEN1KMT2AALDH1A1HPGD
SCHEMBL2818334 0.88 MEN1 (0.47) SQORMEN1KMT2AALDH1A1HPGD
SCHEMBL2819593 0.88 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDKDR
SCHEMBL2819969 0.87 SQOR (0.48) SQORMEN1KMT2AALDH1A1HPGD
SCHEMBL2819357 0.87 SQOR (0.48) SQORMEN1KMT2AALDH1A1HPGD

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 SQOR 1722/4885MEN1 357/4885KMT2A 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.