SCHEMBL2201386

SCHEMBL2201386

COc1cc(-c2cc(C(C)(C)C)[nH]c(=O)c2C#N)cc(OC(C)=O)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
MET P08581 1/20 0.50
KDR P35968 1/20 0.50
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GLA P06280 3/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 1/20 0.42
PIM1 P11309 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
BRD4 O60885 8/20 0.39
POLB P06746 1/20 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
SCHEMBL2200572 0.87 KDM4E (0.50) MEN1KMT2AUSP2METKDR
SCHEMBL2201387 0.86 MEN1 (0.53) MEN1KMT2AUSP2METKDR
SCHEMBL2201007 0.83 KDM4E (0.43) MEN1KMT2AUSP2METKDR
SCHEMBL2200883 0.82 KDM4E (0.47) MEN1KMT2AUSP2METKDR
SCHEMBL2200567 0.77 KDM4E (0.51) MEN1KMT2AUSP2METKDR
SCHEMBL2202976 0.76 PIM1 (0.50) MEN1KMT2AUSP2METKDR
SCHEMBL2201652 0.76 KDM4E (0.43) MEN1KMT2AKDM4EALDH1A1GLA
SCHEMBL2202535 0.76 KDM4E (0.41) MEN1KMT2AUSP2METKDR
SCHEMBL2201873 0.76 PIM1 (0.50) MEN1KMT2AUSP2METKDR
SCHEMBL2199168 0.75 KDM4E (0.55) MEN1KMT2AUSP2METKDR

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 MEN1 1704/4885KMT2A 1372/4885USP2 3459/4885

“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.