SCHEMBL25064484

SCHEMBL25064484

CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 11/20 0.49
▸ KDR P35968 7/20 0.49
▸ MTOR P42345 6/20 0.49
▸ PIK3CD O00329 3/20 0.49
▸ PIK3CA P42336 2/20 0.49
▸ PIK3CG P48736 2/20 0.49
▸ TGFBR1 P36897 2/20 0.49
▸ BMPR1B O00238 1/20 0.49
▸ PLK4 O00444 1/20 0.49
▸ PIK3C2B O00750 1/20 0.49
▸ CASK O14936 1/20 0.49
▸ GAK O14976 1/20 0.49
▸ EPHB6 O15197 1/20 0.49
▸ DAPK3 O43293 1/20 0.49
▸ MAP3K7 O43318 1/20 0.49
▸ RIPK2 O43353 1/20 0.49
▸ PIP5K1C O60331 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ RPS6KA5 O75582 1/20 0.49

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
SCHEMBL23251753 0.93 RET (0.50) RETKDRMTORPIK3CDPIK3CA
SCHEMBL23251525 0.93 RET (0.50) RETKDRMTORPIK3CDPIK3CA
SCHEMBL23251960 0.92 RET (0.49) RETKDRMTORPIK3CDPIK3CA
SCHEMBL23157299 0.92 RET (0.49) RETKDRMTORPIK3CDPIK3CA
SCHEMBL24519415 0.92 RET (0.51) RETKDRMTORPIK3CDPIK3CA
SCHEMBL23157925 0.91 MTOR (0.45) RETKDRMTORPIK3CDPIK3CA
SCHEMBL23158218 0.91 MTOR (0.45) RETKDRMTORPIK3CDPIK3CA
SCHEMBL23157933 0.91 MTOR (0.45) RETKDRMTORPIK3CDPIK3CA
SCHEMBL23157937 0.91 MTOR (0.45) RETKDRMTORPIK3CDPIK3CA
SCHEMBL23157979 0.90 MTOR (0.46) RETKDRMTORPIK3CDPIK3CA

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-20230055672-A1 C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-02-23 — — 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-20230055672-A1 C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors MTOR, RICTOR, RPTOR RET 1512/4885KDR 3263/4885MTOR 1/4885

“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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