SCHEMBL12264876

SCHEMBL12264876

COc1ccc(-c2nn(C3CCN(C(=O)CCCC(=O)/C=C/c4ccccc4)CC3)c3ncnc(N)c23)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 14/20 0.57
▸ EGFR P00533 11/20 0.57
▸ KDR P35968 10/20 0.57
▸ PIK3CD O00329 9/20 0.57
▸ ABL1 P00519 8/20 0.57
▸ HCK P08631 8/20 0.57
▸ PIK3CA P42336 8/20 0.57
▸ PIK3CB P42338 8/20 0.57
▸ MTOR P42345 8/20 0.57
▸ PIK3CG P48736 8/20 0.57
▸ EPHB4 P54760 8/20 0.57
▸ PRKDC P78527 8/20 0.57
▸ PI4KB Q9UBF8 8/20 0.57
▸ ITK Q08881 2/20 0.56
▸ LCK P06239 5/20 0.53
▸ TEK Q02763 4/20 0.53
▸ BTK Q06187 4/20 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
SCHEMBL1497588 0.96 SRC (0.59) SRCEGFRKDRPIK3CDABL1
SCHEMBL1497592 0.96 SRC (0.59) SRCEGFRKDRPIK3CDABL1
SCHEMBL2397532 0.86 SRC (0.63) SRCEGFRKDRPIK3CDABL1
SCHEMBL2397534 0.86 SRC (0.63) SRCEGFRKDRPIK3CDABL1
SCHEMBL12265366 0.82 SRC (0.65) SRCEGFRKDRPIK3CDABL1
SCHEMBL1497692 0.78 ITK (0.65) SRCEGFRKDRPIK3CDABL1
SCHEMBL12265364 0.78 SRC (0.63) SRCEGFRKDRPIK3CDABL1
SCHEMBL27604491 0.76 SRC (0.76) SRCEGFRKDRPIK3CDABL1
SCHEMBL6431852 0.75 LCK (0.78) SRCEGFRKDRABL1HCK
SCHEMBL6431851 0.75 LCK (0.78) SRCEGFRKDRABL1HCK

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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 — — US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 — — US disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 — — 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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B SRC 128/4885EGFR 580/4885KDR 912/4885

“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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