SCHEMBL2201824

SCHEMBL2201824

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 8/20 0.56
KDM4E B2RXH2 8/20 0.45
NPSR1 Q6W5P4 6/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
PAX8 Q06710 1/20 0.45
RXFP1 Q9HBX9 3/20 0.41
GLA P06280 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
MITF O75030 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA2A P29274 2/20 0.39

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
SCHEMBL2203258 0.93 SQOR (0.48) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL2199288 0.82 SQOR (0.52) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL2202897 0.82 SQOR (0.49) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL2204237 0.80 SQOR (0.49) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL2198887 0.77 SQOR (0.41) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL2201371 0.75 SQOR (0.45) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL12430361 0.74 SQOR (0.51) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL22208234 0.72 SQOR (1.00) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL29442283 0.72 SQOR (1.00) SQORKDM4ENPSR1ALDH1A1HPGD
SCHEMBL22208282 0.70 SQOR (1.00) SQORKDM4ENPSR1ALDH1A1HPGD

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 1563/4885KDM4E 1340/4885NPSR1 2199/4885

“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.