SCHEMBL2199288

SCHEMBL2199288

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 5/20 0.52
ADORA2A P29274 4/20 0.38
ADORA2B P29275 3/20 0.38
ADORA1 P30542 3/20 0.38
ALDH1A1 P00352 7/20 0.38
HPGD P15428 6/20 0.38
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 4/20 0.38
NPSR1 Q6W5P4 4/20 0.38
GAA P10253 3/20 0.38
PAX8 Q06710 1/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
CDK2 P24941 1/20 0.34
CLK1 P49759 1/20 0.34
GBA1 P04062 1/20 0.34
HTT P42858 1/20 0.34
MITF O75030 1/20 0.34

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
SCHEMBL2201371 0.92 SQOR (0.45) SQORADORA2AADORA2BADORA1ALDH1A1
SCHEMBL12430361 0.89 SQOR (0.51) SQORADORA2AADORA2BADORA1ALDH1A1
SCHEMBL2202502 0.87 SQOR (0.43) SQORADORA2AADORA1ALDH1A1HPGD
SCHEMBL2816528 0.82 SQOR (0.55) SQORADORA2AADORA1ALDH1A1HPGD
SCHEMBL2201824 0.82 SQOR (0.56) SQORADORA2AADORA2BADORA1ALDH1A1
SCHEMBL12430356 0.82 SQOR (0.52) SQORALDH1A1HPGDKDM4EKMT2A
SCHEMBL2199669 0.82 SQOR (0.39) SQORALDH1A1HPGDKMT2AGAA
SCHEMBL14340812 0.81 SQOR (0.53) SQORADORA2AADORA1ALDH1A1HPGD
SCHEMBL12430366 0.81 PDE4A (0.48) SQORADORA2AADORA2BADORA1ALDH1A1
SCHEMBL2203558 0.80 SQOR (0.44) SQORADORA2AADORA1ALDH1A1HPGD

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 9 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
EP-1846402-A1 3-AMINO-PYRAZOLO[3,4B]PYRIDINES USED AS INHIBITORS OF PROTEIN TYROSINE KINASES FOR TREATING ANGIOGENIC, HYPERPROLIFERATIVE OR NEURODEGENERATIVE DISEASES Bayer Schering Pharma Aktiengesellschaft (DE) 2007-10-24 EP disclosed
WO-2006063805-A1 3-AMINO-PYRAZOLO[3,4B]PYRIDINES USED AS INHIBITORS OF PROTEIN TYROSINE KINASES FOR TREATING ANGIOGENIC, HYPERPROLIFERATIVE OR NEURODEGENERATIVE DISEASES BAYER SCHERING PHARMA AKTINGESELLSCHAFT (DE) 2006-06-22 WO 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 1563/4885ADORA2A 951/4885ADORA2B 848/4885

“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.