SCHEMBL2397534

SCHEMBL2397534

CC=CC(=O)CCC(=O)N1CCC(n2nc(-c3ccc(OC)c(OC)c3)c3c(N)ncnc32)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 14/20 0.63
▸ PIK3CD O00329 11/20 0.63
▸ EGFR P00533 11/20 0.63
▸ ABL1 P00519 10/20 0.63
▸ HCK P08631 10/20 0.63
▸ KDR P35968 10/20 0.63
▸ PIK3CA P42336 10/20 0.63
▸ PIK3CB P42338 10/20 0.63
▸ MTOR P42345 10/20 0.63
▸ PIK3CG P48736 10/20 0.63
▸ EPHB4 P54760 10/20 0.63
▸ PRKDC P78527 10/20 0.63
▸ PI4KB Q9UBF8 10/20 0.63
▸ ITK Q08881 1/20 0.61
▸ BTK Q06187 2/20 0.55
▸ FGFR2 P21802 2/20 0.54
▸ FGFR1 P11362 1/20 0.54
▸ FGFR4 P22455 1/20 0.54
▸ FGFR3 P22607 1/20 0.54
▸ LCK P06239 2/20 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
SCHEMBL2397532 1.00 SRC (0.63) SRCPIK3CDEGFRABL1HCK
SCHEMBL1497588 0.90 SRC (0.59) SRCPIK3CDEGFRABL1HCK
SCHEMBL1497592 0.90 SRC (0.59) SRCPIK3CDEGFRABL1HCK
SCHEMBL12265366 0.88 SRC (0.65) SRCPIK3CDEGFRABL1HCK
SCHEMBL12264876 0.86 SRC (0.57) SRCPIK3CDEGFRABL1HCK
SCHEMBL1497692 0.83 ITK (0.65) SRCPIK3CDEGFRABL1HCK
SCHEMBL12265364 0.83 SRC (0.63) SRCPIK3CDEGFRABL1HCK
SCHEMBL21067912 0.79 PIK3CD (1.00) SRCPIK3CDEGFRABL1HCK
SCHEMBL3603658 0.79 PIK3CD (1.00) SRCPIK3CDEGFRABL1HCK
SCHEMBL27604491 0.79 SRC (0.76) SRCPIK3CDEGFRABL1HCK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 — — US 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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B SRC 128/4885PIK3CD 5/4885EGFR 580/4885

“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.

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