SCHEMBL21029666

SCHEMBL21029666

C=CC(=O)N1C[C@@H]2C[C@H]1CC2n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.68
EGFR P00533 8/20 0.68
ITK Q08881 5/20 0.66
LCK P06239 5/20 0.66
TEC P42680 4/20 0.66
BMX P51813 4/20 0.66
LYN P07948 4/20 0.66
JAK3 P52333 4/20 0.66
TXK P42681 2/20 0.66
FGFR2 P21802 2/20 0.66
ABL1 P00519 2/20 0.66
ERBB2 P04626 2/20 0.66
FYN P06241 2/20 0.66
YES1 P07947 2/20 0.66
HCK P08631 2/20 0.66
FGR P09769 2/20 0.66
SRC P12931 2/20 0.66
FER P16591 2/20 0.66
CSK P41240 2/20 0.66
BLK P51451 2/20 0.66

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
SCHEMBL20995773 1.00 BTK (0.68) BTKEGFRITKLCKTEC
SCHEMBL20995710 1.00 BTK (0.68) BTKEGFRITKLCKTEC
SCHEMBL17065747 0.94 BTK (0.71) BTKEGFRITKLCKTEC
SCHEMBL20995663 0.93 BTK (0.59) BTKEGFRITKLCKTEC
SCHEMBL20995810 0.91 BTK (0.62) BTKEGFRITKLCKTEC
SCHEMBL19176244 0.89 BTK (0.71) BTKEGFRITKLCKTEC
SCHEMBL18335282 0.89 BTK (0.75) BTKEGFRITKLCKTEC
SCHEMBL20995622 0.88 BTK (0.58) BTKEGFRITKLCKTEC
SCHEMBL17065743 0.88 BTK (0.75) BTKEGFRITKLCKTEC
SCHEMBL21030123 0.87 BTK (0.69) BTKEGFRITKLCKTEC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481831-B1 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINYLAZABICYCLO DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO LTD (KR) 2023-09-06 EP disclosed
US-10399988-B2 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo derivatives and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2019-09-03 US disclosed
US-20190161488-A1 Novel 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2019-05-30 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 (2 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-10399988-B2 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo derivatives and pharmaceutical composition comprising the same ITK, BTK, TYK2 BTK 2/4885EGFR 831/4885ITK 1/4885
US-20190161488-A1 Novel 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo Derivatives and Pharmaceutical Composition Comprising the Same BTK, ITK, TYK2 BTK 1/4885EGFR 857/4885ITK 2/4885

“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.