SCHEMBL16655555

SCHEMBL16655555

CN(C)C/C=C/S(=O)(=O)N1CC(n2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)Cc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.62
PIK3CD O00329 14/20 0.62
EGFR P00533 6/20 0.51
ABL1 P00519 1/20 0.51
HCK P08631 1/20 0.51
SRC P12931 1/20 0.51
KDR P35968 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
MTOR P42345 1/20 0.51
PIK3CG P48736 1/20 0.51
EPHB4 P54760 1/20 0.51
PRKDC P78527 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
LCK P06239 2/20 0.45
ITK Q08881 2/20 0.45
ATR Q13535 1/20 0.43

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
SCHEMBL16655558 1.00 BTK (0.62) BTKPIK3CDEGFRABL1HCK
SCHEMBL16655659 0.90 PIK3CD (0.67) BTKPIK3CDEGFRABL1HCK
SCHEMBL16655660 0.90 PIK3CD (0.67) BTKPIK3CDEGFRABL1HCK
SCHEMBL16655683 0.87 PIK3CD (0.69) BTKPIK3CDEGFRABL1HCK
SCHEMBL23917207 0.86 PIK3CD (0.70) BTKPIK3CDEGFRABL1HCK
SCHEMBL16655294 0.85 PIK3CD (0.66) BTKPIK3CDEGFRABL1HCK
SCHEMBL16655635 0.81 PIK3CD (0.65) BTKPIK3CDEGFRABL1HCK
SCHEMBL16655639 0.81 PIK3CD (0.65) BTKPIK3CDEGFRABL1HCK
SCHEMBL23917465 0.80 PIK3CD (0.73) BTKPIK3CDEGFRABL1HCK
SCHEMBL16655545 0.78 PIK3CD (0.66) BTKPIK3CDEGFRABL1HCK

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 3 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

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 2/4885EGFR 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.