SCHEMBL2202233

SCHEMBL2202233

COc1ccc(-c2cc(C(C)(C)C)nc(OS(=O)(=O)C(F)(F)F)c2C#N)cc1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 2/20 0.48
MAPT P10636 3/20 0.41
ATM Q13315 1/20 0.41
PIM1 P11309 1/20 0.40
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GFER P55789 1/20 0.38
HPGD P15428 3/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
XDH P47989 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL2203558 0.89 SQOR (0.44) SQORMAPTATMADORA2AADORA1
SCHEMBL2201371 0.83 SQOR (0.45) SQORMAPTADORA2AADORA1KDM4E
SCHEMBL2203647 0.83 SQOR (0.43) SQORMAPTADORA2AADORA1KDM4E
SCHEMBL2202502 0.83 SQOR (0.43) SQORADORA2AADORA1KDM4EALDH1A1
SCHEMBL12430361 0.79 SQOR (0.51) SQORADORA2AADORA1KDM4EALDH1A1
SCHEMBL2816528 0.78 SQOR (0.55) SQORMAPTADORA2AADORA1KDM4E
SCHEMBL2199288 0.78 SQOR (0.52) SQORMAPTADORA2AADORA1KDM4E
SCHEMBL2199669 0.78 SQOR (0.39) SQORALDH1A1KMT2AMEN1GAA
SCHEMBL15492544 0.77 SQOR (0.38) SQORALDH1A1KMT2AMEN1GAA
SCHEMBL14340812 0.77 SQOR (0.53) SQORADORA2AADORA1KDM4EALDH1A1

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
EP-1846402-B1 3-AMINO-PYRAZOLO[3,4B]PYRIDINES USED AS INHIBITORS OF PROTEIN TYROSINE KINASES FOR TREATING ANGIOGENIC, HYPERPROLIFERATIVE OR NEURODEGENERATIVE DISEASES BAYER IP GMBH (DE) 2014-02-26 EP 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-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
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 1563/4885MAPT 2191/4885ATM 314/4885

“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.