SCHEMBL16655759

SCHEMBL16655759

Nc1ncnc2c1c(-c1ccc(CO)cc1)nn2C1CCCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.62
PIK3CD O00329 11/20 0.62
ATR Q13535 4/20 0.62
EGFR P00533 3/20 0.59
ITK Q08881 1/20 0.52
LYN P07948 2/20 0.48
FYN P06241 1/20 0.48
BLK P51451 1/20 0.48
LCK P06239 1/20 0.48

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
SCHEMBL16655939 0.89 PIK3CD (0.69) BTKPIK3CDATREGFRLYN
SCHEMBL23908597 0.86 BTK (0.61) BTKPIK3CDATREGFRLYN
SCHEMBL16665687 0.85 PIK3CD (0.75) BTKPIK3CDATREGFR
SCHEMBL16656048 0.85 PIK3CD (0.75) BTKPIK3CDATREGFR
SCHEMBL16665679 0.83 PIK3CD (0.73) BTKPIK3CDATREGFR
SCHEMBL16655397 0.83 PIK3CD (0.73) BTKPIK3CDATREGFR
SCHEMBL16655386 0.83 PIK3CD (0.77) BTKPIK3CDATREGFRLYN
SCHEMBL16655577 0.83 BTK (0.67) BTKPIK3CDATREGFRITK
SCHEMBL16655275 0.83 ATR (0.72) BTKPIK3CDATREGFRITK
SCHEMBL16655402 0.83 PIK3CD (0.90) BTKPIK3CDATREGFR

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 4 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
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO 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-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.