SCHEMBL16655435

SCHEMBL16655435

C=CC(=O)Nc1ccc(-c2nn(C3Cc4ccccc4N(C(=O)C=C)C3)c3ncnc(N)c23)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.53
PIK3CD O00329 7/20 0.53
ATR Q13535 1/20 0.53
EGFR P00533 6/20 0.50
ERBB3 P21860 1/20 0.49
ITK Q08881 2/20 0.49
ABL1 P00519 1/20 0.49
ERBB2 P04626 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
YES1 P07947 1/20 0.49
LYN P07948 1/20 0.49
HCK P08631 1/20 0.49
FGR P09769 1/20 0.49
SRC P12931 1/20 0.49
FER P16591 1/20 0.49
CSK P41240 1/20 0.49
TEC P42680 1/20 0.49
BLK P51451 1/20 0.49
BMX P51813 1/20 0.49

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
SCHEMBL16655763 0.94 BTK (0.51) BTKPIK3CDATREGFRERBB3
SCHEMBL16655725 0.90 BTK (0.59) BTKPIK3CDATREGFRITK
SCHEMBL16665827 0.90 BTK (0.59) BTKPIK3CDATREGFRITK
SCHEMBL16655791 0.88 BTK (0.70) BTKPIK3CDATREGFRITK
SCHEMBL16665689 0.88 PIK3CD (0.70) BTKPIK3CDATREGFRABL1
SCHEMBL16655762 0.88 PIK3CD (0.70) BTKPIK3CDATREGFRABL1
SCHEMBL16665847 0.88 PIK3CD (0.70) BTKPIK3CDATREGFRITK
SCHEMBL16655937 0.88 PIK3CD (0.70) BTKPIK3CDATREGFRITK
SCHEMBL16656050 0.87 BTK (0.53) BTKPIK3CDATREGFRITK
SCHEMBL16656038 0.86 PIK3CD (0.62) BTKPIK3CDATREGFRERBB3

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
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US claimed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP claimed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO claimed

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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB BTK 1/4885PIK3CD 2/4885ATR 680/4885

“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.