SCHEMBL23036916

SCHEMBL23036916

COc1ccccc1-n1cc(/C=C2\SC(=S)NC2=O)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 11/20 1.00
▸ RPTOR Q8N122 4/20 0.67
▸ MLST8 Q9BVC4 4/20 0.67
▸ NAT1 P18440 1/20 0.58
▸ PDE4B Q07343 3/20 0.55
▸ PDE3A Q14432 1/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CSNK2A2 P19784 1/20 0.51
▸ CLK1 P49759 1/20 0.51
▸ CSNK2B P67870 1/20 0.51
▸ CSNK2A1 P68400 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ DYRK1B Q9Y463 1/20 0.51
▸ CISD1 Q9NZ45 1/20 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
SCHEMBL30438513 1.00 MTOR (1.00) MTORRPTORMLST8NAT1PDE4B
SCHEMBL23036935 0.89 MTOR (0.80) MTORRPTORMLST8PDE4BMEN1
SCHEMBL30438310 0.89 MTOR (0.80) MTORRPTORMLST8PDE4BMEN1
SCHEMBL30437715 0.84 MTOR (1.00) MTORRPTORMLST8NAT1CISD1
SCHEMBL23036890 0.84 MTOR (1.00) MTORRPTORMLST8NAT1
SCHEMBL30438520 0.84 MTOR (1.00) MTORRPTORMLST8NAT1
SCHEMBL23036897 0.84 MTOR (1.00) MTORRPTORMLST8NAT1CISD1
SCHEMBL23036906 0.81 MTOR (1.00) MTORRPTORMLST8NAT1CISD1
SCHEMBL29249414 0.79 MTOR (0.65) MTORRPTORMLST8MEN1ALDH1A1
SCHEMBL23036884 0.77 MTOR (1.00) MTORRPTORMLST8NAT1CSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112368279-B Novel compounds as mTOR inhibitors and uses thereof 医药生命融合研究团 2024-05-28 — — CN claimed
US-11649231-B2 Compound as mTOR inhibitor and use thereof MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2023-05-16 — — US claimed
US-20210292314-A1 NOVEL COMPOUND AS mTOR INHIBITOR AND USE THEREOF MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2021-09-23 — — US claimed
EP-3786163-A1 NOVEL COMPOUND AS MTOR INHIBITOR AND USE THEREOF Medicinal Bioconvergence Research Center (KR) 2021-03-03 — — EP claimed
CN-112368279-A Novel compounds as mTOR inhibitors and uses thereof 医药生命融合研究团 2021-02-12 — — CN claimed
US-11649231-B2 Compound as mTOR inhibitor and use thereof MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2023-05-16 — — US disclosed
US-11649231-B2 Compound as mTOR inhibitor and use thereof MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2023-05-16 — — US disclosed
US-11649231-B2 Compound as mTOR inhibitor and use thereof MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2023-05-16 — — US disclosed
US-20210292314-A1 NOVEL COMPOUND AS mTOR INHIBITOR AND USE THEREOF MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2021-09-23 — — US disclosed
US-20210292314-A1 NOVEL COMPOUND AS mTOR INHIBITOR AND USE THEREOF MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2021-09-23 — — US disclosed
EP-3786163-A1 NOVEL COMPOUND AS MTOR INHIBITOR AND USE THEREOF Medicinal Bioconvergence Research Center (KR) 2021-03-03 — — EP disclosed
CN-112368279-A Novel compounds as mTOR inhibitors and uses thereof 医药生命融合研究团 2021-02-12 — — 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 (2 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-11649231-B2 Compound as mTOR inhibitor and use thereof MTOR, RICTOR, RPTOR MTOR 1/4885RPTOR 3/4885MLST8 8/4885
US-20210292314-A1 NOVEL COMPOUND AS mTOR INHIBITOR AND USE THEREOF MTOR, RICTOR, RPTOR MTOR 1/4885RPTOR 3/4885MLST8 8/4885

“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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