SCHEMBL20596076

SCHEMBL20596076

COc1ccc(-c2cncc3nc(CC(=O)Nc4ccc(Cl)nc4N)cn23)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 1/20 0.38
▸ LMNA P02545 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ SCN10A Q9Y5Y9 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPT P10636 2/20 0.34

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
SCHEMBL20596490 0.89 MARS2 (0.42) LMNAALDH1A1CA12CA1CA2
SCHEMBL20595835 0.84 MEN1 (0.38) NOD2LMNAALDH1A1CA12CA1
SCHEMBL20595852 0.82 CYP11B1 (0.41) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL20596051 0.81 CA12 (0.37) LMNAALDH1A1CA12CA1CA2
SCHEMBL20595923 0.79 CYP1A2 (0.39) LMNAALDH1A1SMN1; SMN2MAPKAPK2MEN1
SCHEMBL20595958 0.78 BACE1 (0.41) —
SCHEMBL20596534 0.77 LMNA (0.39) LMNAALDH1A1CA12CA1CA2
SCHEMBL23419199 0.74 MARS2 (0.41) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL20596538 0.74 LMNA (0.38) LMNAALDH1A1CA12CA1CA2
SCHEMBL23419563 0.73 MARS2 (0.46) LMNAALDH1A1SMN1; SMN2MEN1MAPK1

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
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-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
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 NOD2 3485/4885LMNA 3342/4885ALDH1A1 1461/4885
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM AARS1, GARS1, MTR NOD2 3521/4885LMNA 2770/4885ALDH1A1 2337/4885

“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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