SCHEMBL16655155

SCHEMBL16655155

Nc1ncnc2c1c(-c1ccc3cc[nH]c3c1)nn2C1CCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.68
ATR Q13535 8/20 0.68
BTK Q06187 6/20 0.68
PIK3CA P42336 7/20 0.67
PIK3CB P42338 7/20 0.67
PIK3CG P48736 7/20 0.67
PRKDC P78527 7/20 0.67
EGFR P00533 7/20 0.67
ABL1 P00519 6/20 0.67
HCK P08631 6/20 0.67
SRC P12931 6/20 0.67
KDR P35968 6/20 0.67
MTOR P42345 6/20 0.67
EPHB4 P54760 6/20 0.67
PI4KB Q9UBF8 2/20 0.58
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
ROCK2 O75116 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 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
SCHEMBL16655561 0.95 PIK3CD (0.68) PIK3CDATRBTKPIK3CAPIK3CB
SCHEMBL16655567 0.86 ATR (0.88) PIK3CDATRBTKPIK3CAPIK3CB
SCHEMBL16655544 0.86 ATR (0.75) PIK3CDATRBTKPIK3CAPIK3CB
SCHEMBL16655710 0.84 ATR (0.78) PIK3CDATRBTKPIK3CAPIK3CB
SCHEMBL16655953 0.83 PIK3CD (0.84) PIK3CDATRBTKPIK3CAPIK3CB
SCHEMBL16655386 0.82 PIK3CD (0.77) PIK3CDATRBTKEGFRLCK
SCHEMBL16665680 0.81 PIK3CD (0.81) PIK3CDATRBTKPIK3CAPIK3CB
SCHEMBL16655190 0.81 PIK3CD (0.81) PIK3CDATRBTKPIK3CAPIK3CB
SCHEMBL16655674 0.81 ATR (0.73) PIK3CDATRBTKPIK3CAPIK3CB
SCHEMBL16665684 0.81 ATR (0.73) PIK3CDATRBTKPIK3CAPIK3CB

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 8 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
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 PIK3CD 2/4885ATR 680/4885BTK 1/4885

“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.