SCHEMBL23251706

SCHEMBL23251706

CCCOCCOCCOCCOCCC(=O)NCc1ncc(Cn2nc(-c3ccc4oc(N)nc4c3)c3c(N)ncnc32)cn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.58
▸ HDAC1 Q13547 8/20 0.58
▸ HDAC8 Q9BY41 3/20 0.55
▸ HDAC6 Q9UBN7 3/20 0.55
▸ HDAC3 O15379 2/20 0.55
▸ HDAC2 Q92769 2/20 0.55
▸ PIK3CD O00329 4/20 0.52
▸ PIK3CA P42336 4/20 0.52
▸ PIK3CG P48736 4/20 0.52
▸ PRKDC P78527 2/20 0.52
▸ DDR1 Q08345 2/20 0.52
▸ PIK3CB P42338 3/20 0.51
▸ ABL1 P00519 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
SCHEMBL23251749 0.96 MTOR (0.58) MTORHDAC1HDAC8HDAC6HDAC3
SCHEMBL24519414 0.94 MTOR (0.59) MTORHDAC1HDAC8HDAC6HDAC3
SCHEMBL23251730 0.94 MTOR (0.58) MTORHDAC1HDAC8HDAC6HDAC3
SCHEMBL25064535 0.93 MTOR (0.56) MTORHDAC1HDAC8HDAC6HDAC3
SCHEMBL23251499 0.92 MTOR (0.64) MTORHDAC1HDAC8HDAC6HDAC3
SCHEMBL24519520 0.87 MTOR (0.66) MTORHDAC1HDAC8HDAC6HDAC3
SCHEMBL23251700 0.86 MTOR (0.65) MTORHDAC1HDAC8HDAC6HDAC3
SCHEMBL26067850 0.86 MTOR (0.65) MTORHDAC1HDAC8HDAC6HDAC3
SCHEMBL23157810 0.86 MTOR (0.65) MTORHDAC1HDAC8HDAC6HDAC3
SCHEMBL21527986 0.85 MTOR (0.68) MTORHDAC1HDAC8HDAC6HDAC3

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-10980889-B1 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors Revolution Medicines, Inc. (US) 2021-04-20 — — 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-10980889-B1 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors MTOR, RICTOR, RPTOR MTOR 1/4885HDAC1 526/4885HDAC8 142/4885

“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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