SCHEMBL20595958

SCHEMBL20595958

COc1ccc(-c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)c3nc(CC(=O)Nc4ccc(Cl)nc4N)cn23)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.41
▸ MAPK3 P27361 1/20 0.38
▸ SUV39H2 Q9H5I1 7/20 0.38
▸ TLR9 Q9NR96 3/20 0.37
▸ ALK Q9UM73 2/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ TLR7 Q9NYK1 2/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ KRAS P01116 1/20 0.35

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
SCHEMBL20595758 0.86 SUV39H2 (0.41) SUV39H2TLR9DPP4TLR7SLC2A1
SCHEMBL20595960 0.83 DPP4 (0.37) BACE1MAPK3SUV39H2TLR9DPP4
SCHEMBL20595835 0.79 MEN1 (0.38) —
SCHEMBL20596076 0.78 NOD2 (0.38) —
SCHEMBL20595923 0.77 CYP1A2 (0.39) —
SCHEMBL20596490 0.76 MARS2 (0.42) TP53
SCHEMBL20596051 0.76 CA12 (0.37) TP53
SCHEMBL20596534 0.71 LMNA (0.39) TP53
SCHEMBL20595879 0.71 MARS2 (0.46) —
SCHEMBL20596538 0.69 LMNA (0.38) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them UNIVERSITY OF WASHINGTON (US) 2023-02-21 — — US disclosed
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON 2021-05-27 — — US disclosed
WO-2018237349-A1 INHIBITORS OF TYPED 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON (US) 2018-12-27 — — WO 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-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them AARS1, EMG1, GARS1 BACE1 4200/4885MAPK3 4499/4885SUV39H2 1995/4885
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM AARS1, GARS1, MTR BACE1 4537/4885MAPK3 4500/4885SUV39H2 1739/4885

“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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