SCHEMBL16655946

SCHEMBL16655946

C=CC(=O)N1Cc2ccccc2C(n2nc(-c3ccc(OCC)c(OC)c3)c3c(N)ncnc32)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 4/20 0.61
EGFR P00533 11/20 0.57
PIK3CD O00329 7/20 0.57
ABL1 P00519 6/20 0.57
HCK P08631 6/20 0.57
SRC P12931 6/20 0.57
KDR P35968 6/20 0.57
PIK3CA P42336 6/20 0.57
PIK3CB P42338 6/20 0.57
MTOR P42345 6/20 0.57
PIK3CG P48736 6/20 0.57
EPHB4 P54760 6/20 0.57
PRKDC P78527 6/20 0.57
PI4KB Q9UBF8 6/20 0.57
FGFR2 P21802 3/20 0.54
FGFR1 P11362 2/20 0.54
FGFR3 P22607 2/20 0.54
BTK Q06187 4/20 0.51
ERBB2 P04626 1/20 0.50
BLK P51451 1/20 0.50

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
SCHEMBL16665831 1.00 ITK (0.61) ITKEGFRPIK3CDABL1HCK
SCHEMBL16655758 0.95 ITK (0.67) ITKEGFRPIK3CDABL1HCK
SCHEMBL16655776 0.88 EGFR (0.58) ITKEGFRPIK3CDABL1HCK
SCHEMBL16665835 0.88 EGFR (0.58) ITKEGFRPIK3CDABL1HCK
SCHEMBL16665686 0.85 BTK (0.57) ITKEGFRPIK3CDFGFR2BTK
SCHEMBL16655500 0.85 BTK (0.57) ITKEGFRPIK3CDFGFR2BTK
SCHEMBL16655929 0.84 EGFR (0.63) ITKEGFRPIK3CDABL1HCK
SCHEMBL16665842 0.83 PIK3CD (0.61) ITKEGFRPIK3CDABL1HCK
SCHEMBL16655401 0.83 PIK3CD (0.61) ITKEGFRPIK3CDABL1HCK
SCHEMBL16656044 0.83 PIK3CD (0.61) ITKEGFRPIK3CDABL1HCK

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 ITK 390/4885EGFR 828/4885PIK3CD 2/4885

“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.