SCHEMBL20595913

SCHEMBL20595913

COc1ccc(Cc2cn(Cc3nc4nc(Br)ccc4[nH]3)c(=O)n2CC(F)F)c(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MARS2 Q96GW9 9/20 0.72
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31

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
SCHEMBL20595846 0.92 MARS2 (0.82) MARS2NOS3NOS1NOS2OPRM1
SCHEMBL20595911 0.92 MARS2 (0.85) MARS2NOS3NOS1NOS2OPRM1
SCHEMBL23419455 0.85 MARS2 (0.64) MARS2OPRM1OPRD1OPRK1
SCHEMBL20595908 0.84 MARS2 (1.00) MARS2NOS3NOS1NOS2OPRM1
SCHEMBL20596125 0.82 MARS2 (1.00) MARS2NOS3NOS1NOS2OPRM1
SCHEMBL20595902 0.81 MARS2 (1.00) MARS2
SCHEMBL20596018 0.81 MARS2 (1.00) MARS2
SCHEMBL20596091 0.80 MARS2 (0.58) MARS2
SCHEMBL20595907 0.80 MARS2 (0.83) MARS2
SCHEMBL20595827 0.79 MARS2 (0.81) MARS2NOS3NOS1NOS2OPRM1

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 MARS2 12/4885NOS3 3039/4885NOS1 2180/4885
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM AARS1, GARS1, MTR MARS2 5/4885NOS3 2767/4885NOS1 2865/4885

“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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