SCHEMBL2203353

SCHEMBL2203353

CC(=O)Oc1ccc([N+](=O)[O-])c(-c2cc(C(C)(C)C)nc(OS(=O)(=O)C(F)(F)F)c2C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.37
ALDH3A1 P30838 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 2/20 0.31
TLR9 Q9NR96 2/20 0.31
ALPL P05186 1/20 0.31
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HSD11B1 P28845 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL15492544 0.84 SQOR (0.38) SQORGPR119MEN1KMT2AALDH1A1
SCHEMBL2203647 0.82 SQOR (0.43) SQORGPR119MEN1KMT2AALDH1A1
SCHEMBL2202502 0.82 SQOR (0.43) SQORGPR119MEN1KMT2AALDH1A1
SCHEMBL2201371 0.79 SQOR (0.45) SQORMEN1KMT2AALDH1A1HPGD
SCHEMBL2199669 0.78 SQOR (0.39) SQORMEN1KMT2AALDH1A1HPGD
SCHEMBL2816429 0.78 SQOR (0.51) SQORGPR119MEN1KMT2AALDH1A1
SCHEMBL2202233 0.76 SQOR (0.48) SQORMEN1KMT2AALDH1A1HPGD
SCHEMBL2819488 0.74 MEN1 (0.44) SQORCA1CA2CA9MEN1
SCHEMBL2203558 0.74 SQOR (0.44) SQORMEN1KMT2AALDH1A1HPGD
SCHEMBL12430356 0.73 SQOR (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977325-B2 3-amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2011-07-12 US disclosed
US-7977325-B2 3-amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2011-07-12 US disclosed
US-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents GENESYS CLOUD SERVICES, INC. 2009-01-29 US disclosed
US-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents GENESYS CLOUD SERVICES, INC. 2009-01-29 US 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-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents MAP4K2, ABL1, MAP4K3 SQOR 1563/4885ALDH3A1 3250/4885CA1 4381/4885

“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.