SCHEMBL16655731

SCHEMBL16655731

NCc1ccc(-c2nn(C3Cc4ccccc4C3)c3ncnc(N)c23)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.65
PIK3CD O00329 12/20 0.65
ATR Q13535 6/20 0.65
LCK P06239 1/20 0.55
LYN P07948 1/20 0.55
NUDT14 O95848 1/20 0.54
NUDT5 Q9UKK9 1/20 0.54
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
PRKDC P78527 1/20 0.53
EGFR P00533 1/20 0.53

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
SCHEMBL16655948 0.90 PIK3CD (0.64) BTKPIK3CDATR
SCHEMBL16655577 0.90 BTK (0.67) BTKPIK3CDATRLCKLYN
SCHEMBL16655916 0.86 PIK3CD (0.74) BTKPIK3CDATRLCKLYN
SCHEMBL16655275 0.83 ATR (0.72) BTKPIK3CDATREGFR
SCHEMBL16655644 0.83 ATR (0.86) BTKPIK3CDATRPIK3CAPIK3CB
SCHEMBL16655501 0.83 PIK3CD (0.69) BTKPIK3CDATRPIK3CAPIK3CB
SCHEMBL16655724 0.83 PIK3CD (0.66) BTKPIK3CDATRPIK3CAPIK3CB
SCHEMBL16655966 0.83 BTK (0.66) BTKPIK3CDATRLCKLYN
Hydrochloric Acid SCHEMBL23908632 0.82 ATR (0.84) BTKPIK3CDATRPIK3CAPIK3CB
SCHEMBL16655178 0.81 BTK (0.61) BTKPIK3CDATRLCKLYN

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 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.