Sugi Predict

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SCHEMBL2201371

SCHEMBL2201371

COc1cc(OC(C)=O)cc(-c2cc(C(C)(C)C)nc(OS(=O)(=O)C(F)(F)F)c2C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 4/20 0.45
▸ ALDH1A1 P00352 5/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ADORA2A P29274 3/20 0.34
▸ ADORA2B P29275 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ GLA P06280 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ ABCC8 Q09428 1/20 0.31

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
SCHEMBL2202502 0.96 SQOR (0.43) SQORALDH1A1KMT2AHPGDKDM4E
SCHEMBL2199288 0.92 SQOR (0.52) SQORALDH1A1KMT2AHPGDKDM4E
SCHEMBL2199669 0.90 SQOR (0.39) SQORALDH1A1KMT2AHPGDGAA
SCHEMBL2203647 0.87 SQOR (0.43) SQORALDH1A1KMT2AHPGDKDM4E
SCHEMBL2203558 0.85 SQOR (0.44) SQORALDH1A1KMT2AHPGDKDM4E
SCHEMBL2203258 0.84 SQOR (0.48) SQORALDH1A1KMT2AHPGDKDM4E
SCHEMBL2202233 0.83 SQOR (0.48) SQORALDH1A1KMT2AHPGDKDM4E
SCHEMBL12430361 0.82 SQOR (0.51) SQORALDH1A1KMT2AHPGDKDM4E
SCHEMBL15492544 0.80 SQOR (0.38) SQORALDH1A1KMT2AHPGDGAA
SCHEMBL2203353 0.79 SQOR (0.37) SQORALDH1A1KMT2AHPGDGAA

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 6 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-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 1563/4885ALDH1A1 2786/4885KMT2A 1372/4885

“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.