SCHEMBL23988342

SCHEMBL23988342

N=C/C(=C\N)C(=O)N1CCc2cc(Cn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)ccc2C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.57
▸ HDAC1 Q13547 10/20 0.57
▸ PIK3CD O00329 6/20 0.51
▸ PIK3CG P48736 6/20 0.51
▸ PIK3CA P42336 5/20 0.51
▸ PIK3CB P42338 4/20 0.51
▸ ABL1 P00519 2/20 0.51
▸ PRKDC P78527 3/20 0.49
▸ DDR1 Q08345 3/20 0.49
▸ HDAC8 Q9BY41 3/20 0.48
▸ HDAC6 Q9UBN7 3/20 0.48
▸ HDAC3 O15379 2/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ PIK3R2 O00459 1/20 0.44
▸ CHEK2 O96017 1/20 0.44

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
SCHEMBL23150559 0.89 MTOR (0.63) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL23251625 0.88 MTOR (0.62) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL24519483 0.87 MTOR (0.61) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL23988089 0.86 MTOR (0.60) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL25113256 0.84 MTOR (0.58) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL29867929 0.84 MTOR (0.58) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL30740011 0.84 MTOR (0.58) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL23251924 0.84 MTOR (0.58) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL20553360 0.84 MTOR (0.58) MTORHDAC1PIK3CDPIK3CGPIK3CA
SCHEMBL24519509 0.84 MTOR (0.59) MTORHDAC1PIK3CDPIK3CGPIK3CA

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-20210338824-A1 C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-11-04 — — 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-20210338824-A1 C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors MTOR, RICTOR, RPTOR MTOR 1/4885HDAC1 526/4885PIK3CD 94/4885

“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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