SCHEMBL30438525

SCHEMBL30438525

O=C1NC(=S)S/C1=C\c1cnn(-c2ccc3ccccc3c2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 12/20 0.76
▸ RPTOR Q8N122 4/20 0.76
▸ MLST8 Q9BVC4 4/20 0.76
▸ PIM1 P11309 3/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ CA2 P00918 1/20 0.51
▸ NAT1 P18440 1/20 0.51
▸ EPHX1 P07099 1/20 0.51
▸ PIK3CD O00329 1/20 0.48
▸ CSNK2A2 P19784 1/20 0.48
▸ PIK3CA P42336 1/20 0.48
▸ PIK3CG P48736 1/20 0.48
▸ CLK1 P49759 1/20 0.48
▸ CLK3 P49761 1/20 0.48
▸ CSNK2B P67870 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ HASPIN Q8TF76 1/20 0.48

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
SCHEMBL23036924 1.00 MTOR (0.76) MTORRPTORMLST8PIM1MEN1
SCHEMBL30438523 0.89 MTOR (0.74) MTORRPTORMLST8PIM1MEN1
SCHEMBL23036940 0.89 MTOR (0.74) MTORRPTORMLST8PIM1MEN1
SCHEMBL23036906 0.86 MTOR (1.00) MTORRPTORMLST8CA2NAT1
SCHEMBL23036933 0.83 MTOR (0.71) MTORRPTORMLST8MEN1KMT2A
SCHEMBL23036886 0.83 MTOR (0.78) MTORRPTORMLST8PIM1NAT1
SCHEMBL23036914 0.83 MTOR (1.00) MTORRPTORMLST8NAT1
SCHEMBL23036907 0.82 MTOR (1.00) MTORRPTORMLST8NAT1
SCHEMBL23036888 0.82 MTOR (0.79) MTORRPTORMLST8KMT2ANAT1
SCHEMBL23036892 0.82 MTOR (1.00) MTORRPTORMLST8NAT1PTGS2

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 2 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 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-11649231-B2 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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