SCHEMBL23150470

SCHEMBL23150470

Nc1nc2cc(-c3nn(Cc4ccc(CNC(=O)O)cc4)c4ncnc(N)c34)ccc2o1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 19/20 0.76
▸ HDAC1 Q13547 9/20 0.76
▸ PIK3CD O00329 7/20 0.61
▸ PIK3CA P42336 7/20 0.61
▸ PIK3CG P48736 7/20 0.61
▸ PIK3CB P42338 6/20 0.61
▸ ABL1 P00519 2/20 0.61
▸ HDAC8 Q9BY41 3/20 0.61
▸ HDAC6 Q9UBN7 3/20 0.61
▸ HDAC3 O15379 2/20 0.61
▸ HDAC2 Q92769 2/20 0.61
▸ PRKDC P78527 4/20 0.58
▸ DDR1 Q08345 3/20 0.58
▸ RICTOR Q6R327 1/20 0.54
▸ RPTOR Q8N122 1/20 0.54
▸ PIK3C3 Q8NEB9 1/20 0.54
▸ MAPKAP1 Q9BPZ7 1/20 0.54
▸ MLST8 Q9BVC4 1/20 0.54

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
SCHEMBL21527986 0.91 MTOR (0.68) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL30405446 0.88 MTOR (0.69) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL20552729 0.88 MTOR (0.69) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL24519520 0.86 MTOR (0.66) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL21527964 0.85 MTOR (0.74) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL30363757 0.85 MTOR (0.74) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL23157810 0.85 MTOR (0.65) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL23251700 0.85 MTOR (0.65) MTORHDAC1PIK3CDPIK3CAPIK3CG
SCHEMBL26067850 0.85 MTOR (0.65) MTORHDAC1PIK3CDPIK3CAPIK3CG
Trifluoroacetic Acid SCHEMBL20552928 0.85 MTOR (0.71) MTORHDAC1PIK3CDPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916194-A Methods for delaying, preventing and treating acquired resistance to RAS inhibitors 锐新医药公司 2023-04-04 — — CN disclosed
CN-112771054-A C40-, C28-and C-32-linked rapamycin analogs as mTOR inhibitors 锐新医药公司 2021-05-07 — — CN disclosed
US-20210094975-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. 2021-04-01 — — US disclosed
CN-112368289-A C26-linked rapamycin analogs as MTOR inhibitors 锐新医药公司 2021-02-12 — — CN disclosed
CN-110770243-A Rapamycin analogs as MTOR inhibitors 锐新医药公司 2020-02-07 — — CN 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-20210094975-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885HDAC1 516/4885PIK3CD 117/4885

“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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