SCHEMBL16655378

SCHEMBL16655378

Nc1ncnc2c1c(-n1ccc3ccccc31)cn2C1CCc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 7/20 0.46
SRC P12931 4/20 0.43
PIK3CD O00329 4/20 0.42
BTK Q06187 2/20 0.42
EGFR P00533 5/20 0.41
ABL1 P00519 4/20 0.41
ABL2 P42684 4/20 0.41
RIPK2 O43353 2/20 0.40
PIKFYVE Q9Y2I7 1/20 0.39
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PRKDC P78527 1/20 0.38

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
SCHEMBL16655432 0.93 SRC (0.44) ATRSRCPIK3CDBTKEGFR
SCHEMBL16655829 0.85 PIK3CD (0.48) ATRSRCPIK3CDBTKEGFR
SCHEMBL16655547 0.85 PIK3CD (0.48) ATRSRCPIK3CDBTKEGFR
SCHEMBL16655728 0.82 PIK3CD (0.51) ATRSRCPIK3CDBTKRIPK2
SCHEMBL16655550 0.80 ATR (0.56) ATRPIK3CDBTKPIK3CAPIK3CB
SCHEMBL16665718 0.79 SRC (0.38) SRCBTKEGFRABL1ABL2
SCHEMBL16654211 0.78 ATR (0.54) ATRSRCPIK3CDBTKEGFR
SCHEMBL16655663 0.77 PIK3CD (0.49) ATRSRCPIK3CDBTKEGFR
SCHEMBL16655472 0.77 PIK3CD (0.49) ATRSRCPIK3CDBTKEGFR
SCHEMBL16655242 0.74 ATR (0.48) ATRPIK3CDBTKPIK3CAPIK3CB

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 ATR 680/4885SRC 92/4885PIK3CD 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.