SCHEMBL16655776

SCHEMBL16655776

C=CC(=O)N1CC(n2nc(-c3ccc(OCC)c(OC)c3)c3c(N)ncnc32)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.58
PIK3CD O00329 12/20 0.58
ABL1 P00519 11/20 0.58
HCK P08631 11/20 0.58
SRC P12931 11/20 0.58
KDR P35968 11/20 0.58
PIK3CA P42336 11/20 0.58
PIK3CB P42338 11/20 0.58
MTOR P42345 11/20 0.58
PIK3CG P48736 11/20 0.58
EPHB4 P54760 11/20 0.58
PRKDC P78527 11/20 0.58
PI4KB Q9UBF8 11/20 0.58
ITK Q08881 3/20 0.58
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR3 P22607 1/20 0.51
BTK Q06187 2/20 0.49
ERBB2 P04626 1/20 0.47
BLK P51451 1/20 0.47

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
SCHEMBL16665835 1.00 EGFR (0.58) EGFRPIK3CDABL1HCKSRC
SCHEMBL16655483 0.95 ITK (0.64) EGFRPIK3CDABL1HCKSRC
SCHEMBL16665834 0.95 ITK (0.64) EGFRPIK3CDABL1HCKSRC
SCHEMBL23917228 0.89 ITK (0.56) EGFRPIK3CDABL1HCKSRC
SCHEMBL16655946 0.88 ITK (0.61) EGFRPIK3CDABL1HCKSRC
SCHEMBL16665831 0.88 ITK (0.61) EGFRPIK3CDABL1HCKSRC
SCHEMBL16655619 0.87 EGFR (0.60) EGFRPIK3CDABL1HCKSRC
SCHEMBL16665830 0.84 BTK (0.52) EGFRPIK3CDABL1HCKSRC
SCHEMBL16655955 0.84 BTK (0.52) EGFRPIK3CDABL1HCKSRC
SCHEMBL16655585 0.83 EGFR (0.60) EGFRABL1HCKSRCKDR

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 EGFR 828/4885PIK3CD 2/4885ABL1 62/4885

“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.