SCHEMBL2229564

SCHEMBL2229564

Nc1n[nH]c2nc(C3CCC(N4CCNCC4)CC3)cc(-c3ccc(Oc4ccccc4)cc3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.49
LCK P06239 3/20 0.43
SRC P12931 3/20 0.43
TEK Q02763 3/20 0.43
HCK P08631 3/20 0.42
PLK4 O00444 1/20 0.42
DCLK1 O15075 1/20 0.42
PDPK1 O15530 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
CHEK2 O96017 1/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
NTRK1 P04629 1/20 0.42
INSR P06213 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
LYN P07948 1/20 0.42

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
SCHEMBL2230919 0.92 LCK (0.51) BTKLCKSRCTEKHCK
SCHEMBL2229238 0.90 BTK (0.48) BTKLCKSRCTEKHCK
SCHEMBL2230090 0.90 BTK (0.53) BTKLCKSRCTEKHCK
SCHEMBL2229472 0.86 HPGD (0.36) BTKABL1KITKDRFLT3
SCHEMBL1162694 0.85 BTK (0.54) BTKLCKSRCTEKEGFR
SCHEMBL6116578 0.84 BTK (0.53) BTK
SCHEMBL2231069 0.83 BTK (0.50) BTK
SCHEMBL12430441 0.81 BTK (0.51) BTK
SCHEMBL2228976 0.78 BTK (0.46) BTK
SCHEMBL2230196 0.78 HRH3 (0.37) BTKLCKSRCTEKPDPK1

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 BTK 42/4885LCK 54/4885SRC 82/4885

“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.