SCHEMBL16655205

SCHEMBL16655205

Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 11/20 1.00
PIK3CD O00329 9/20 0.74
EGFR P00533 7/20 0.74
ABL1 P00519 6/20 0.74
HCK P08631 6/20 0.74
SRC P12931 6/20 0.74
KDR P35968 6/20 0.74
PIK3CA P42336 6/20 0.74
PIK3CB P42338 6/20 0.74
MTOR P42345 6/20 0.74
PIK3CG P48736 6/20 0.74
EPHB4 P54760 6/20 0.74
PRKDC P78527 6/20 0.74
BTK Q06187 3/20 0.74
PI4KB Q9UBF8 2/20 0.74
DAPK3 O43293 1/20 0.74
JAK2 O60674 1/20 0.74
ROCK2 O75116 1/20 0.74
PRKD3 O94806 1/20 0.74
MAP4K4 O95819 1/20 0.74

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
SCHEMBL16655656 0.94 ATR (1.00) ATRPIK3CDEGFRABL1HCK
SCHEMBL16655567 0.86 ATR (0.88) ATRPIK3CDEGFRABL1HCK
SCHEMBL16655544 0.86 ATR (0.75) ATRPIK3CDEGFRABL1HCK
SCHEMBL30203858 0.85 EGFR (1.00) ATRPIK3CDEGFRABL1HCK
SCHEMBL12265009 0.85 EGFR (1.00) ATRPIK3CDEGFRABL1HCK
SCHEMBL30203857 0.85 EGFR (1.00) ATRPIK3CDEGFRABL1HCK
SCHEMBL16655674 0.84 ATR (0.73) ATRPIK3CDEGFRABL1HCK
SCHEMBL16665684 0.84 ATR (0.73) ATRPIK3CDEGFRABL1HCK
SCHEMBL23157749 0.83 SRC (0.85) ATRPIK3CDEGFRABL1HCK
SCHEMBL23917499 0.82 ATR (0.70) ATRPIK3CDEGFRABL1HCK

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 7 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
US-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US disclosed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO disclosed
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 ATR 680/4885PIK3CD 2/4885EGFR 828/4885

“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.