SCHEMBL23419455

SCHEMBL23419455

COc1ccc(Cc2cn(Cc3nc4c(F)c(F)ccc4[nH]3)c(=O)n2CC(F)F)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MARS2 Q96GW9 7/20 0.64
▸ P2RX7 Q99572 7/20 0.32
▸ CSNK1E P49674 2/20 0.32
▸ CSNK1D P48730 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30

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
SCHEMBL23419640 0.90 MARS2 (0.75) MARS2HCRTR1HCRTR2
SCHEMBL20596091 0.87 MARS2 (0.58) MARS2P2RX7MAPT
SCHEMBL20595846 0.86 MARS2 (0.82) MARS2P2RX7MAPTOPRM1OPRD1
SCHEMBL20595911 0.86 MARS2 (0.85) MARS2P2RX7MAPTOPRM1OPRD1
SCHEMBL20595913 0.85 MARS2 (0.72) MARS2OPRM1OPRD1OPRK1
SCHEMBL20595908 0.78 MARS2 (1.00) MARS2P2RX7MAPTOPRM1OPRD1
SCHEMBL23419588 0.78 MARS2 (0.61) MARS2OPRM1OPRD1OPRK1HCRTR1
SCHEMBL20595847 0.78 MARS2 (0.61) MARS2OPRM1OPRD1OPRK1HCRTR1
SCHEMBL20595902 0.77 MARS2 (1.00) MARS2
SCHEMBL20595862 0.77 MARS2 (0.68) MARS2P2RX7

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
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

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 12/4885P2RX7 4283/4885CSNK1E 3219/4885
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM AARS1, GARS1, MTR MARS2 5/4885P2RX7 4200/4885CSNK1E 3256/4885

“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.

Send feedback