SCHEMBL16655585

SCHEMBL16655585

C=CC(=O)N1CC(n2nc(-c3ccc(O)cc3)c3c(N)ncnc32)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.60
BTK Q06187 11/20 0.53
ITK Q08881 6/20 0.51
TEC P42680 3/20 0.51
BMX P51813 3/20 0.51
TXK P42681 2/20 0.51
LYN P07948 2/20 0.51
FGFR2 P21802 2/20 0.51
RIPK2 O43353 1/20 0.51
NR1I2 O75469 1/20 0.51
SLC22A3 O75751 1/20 0.51
LATS1 O95835 1/20 0.51
NUDT14 O95848 1/20 0.51
ABL1 P00519 1/20 0.51
ERBB2 P04626 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
PGR P06401 1/20 0.51
CSF1R P07333 1/20 0.51
YES1 P07947 1/20 0.51

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
SCHEMBL16655955 0.91 BTK (0.52) EGFRBTKITKTECBMX
SCHEMBL16665830 0.91 BTK (0.52) EGFRBTKITKTECBMX
SCHEMBL16655921 0.88 PIK3CD (0.62) EGFRBTKITKFGFR2ABL1
SCHEMBL16665828 0.88 PIK3CD (0.58) EGFRBTKITKBMXABL1
SCHEMBL16655630 0.88 PIK3CD (0.63) EGFRBTKITKFGFR2ABL1
SCHEMBL16655257 0.88 PIK3CD (0.58) EGFRBTKITKBMXABL1
SCHEMBL16655554 0.88 PIK3CD (0.58) EGFRBTKABL1HCKSRC
SCHEMBL23917446 0.87 EGFR (0.57) EGFRBTKITKTECBMX
SCHEMBL16665834 0.86 ITK (0.64) EGFRBTKITKBMXFGFR2
SCHEMBL16655483 0.86 ITK (0.64) EGFRBTKITKBMXFGFR2

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 EGFR 828/4885BTK 1/4885ITK 390/4885

“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.