SCHEMBL2203258

SCHEMBL2203258

COc1cc(OC(C)=O)cc(-c2cc(-c3ccncc3)nc(OS(=O)(=O)C(F)(F)F)c2C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 9/20 0.48
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 4/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 2/20 0.40
PAX8 Q06710 1/20 0.40
GLA P06280 4/20 0.38
MAPT P10636 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL2201824 0.93 SQOR (0.56) SQORKDM4EALDH1A1KMT2ANPSR1
SCHEMBL2202897 0.88 SQOR (0.49) SQORKDM4EALDH1A1KMT2ANPSR1
SCHEMBL2204237 0.86 SQOR (0.49) SQORKDM4EALDH1A1KMT2ANPSR1
SCHEMBL2201371 0.84 SQOR (0.45) SQORKDM4EALDH1A1KMT2ANPSR1
SCHEMBL2202502 0.80 SQOR (0.43) SQORKDM4EALDH1A1KMT2ANPSR1
SCHEMBL2199288 0.76 SQOR (0.52) SQORKDM4EALDH1A1KMT2ANPSR1
SCHEMBL2199669 0.75 SQOR (0.39) SQORALDH1A1KMT2AGAAHPGD
SCHEMBL2203647 0.73 SQOR (0.43) SQORKDM4EALDH1A1KMT2ANPSR1
SCHEMBL2198128 0.73 GAA (0.48) SQORKDM4EALDH1A1KMT2ANPSR1
SCHEMBL2203539 0.72 MET (0.51) KDM4EKMT2AGLAMAPTMEN1

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 1563/4885KDM4E 1340/4885ALDH1A1 2786/4885

“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.