SCHEMBL2201639

SCHEMBL2201639

COc1cccc(-c2cc(C(C)(C)C)[nH]c(=O)c2C#N)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 4/20 0.57
GLA P06280 3/20 0.57
GAA P10253 3/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HPGD P15428 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 1/20 0.51
PIM1 P11309 3/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL2200567 0.87 KDM4E (0.51) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL2201652 0.86 KDM4E (0.43) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL2202976 0.84 PIM1 (0.50) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL2201226 0.84 KDM4E (0.50) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL15492448 0.83 ATM (0.64) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL2202978 0.82 PIM1 (0.50) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL6217613 0.81 KDM4E (0.54) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL2200660 0.81 ATM (0.51) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL2201007 0.79 KDM4E (0.43) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL2201873 0.79 PIM1 (0.50) KDM4EALDH1A1GLAGAAMEN1

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 KDM4E 1340/4885ALDH1A1 2786/4885GLA 1658/4885

“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.