SCHEMBL30145140

SCHEMBL30145140

COc1ccc(-c2cccc3nc(Cc4nc5nc(C(F)(F)F)ccc5[nH]4)cn23)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MARS2 Q96GW9 6/20 0.65
▸ CRHR1 P34998 2/20 0.34
▸ NOS1 P29475 2/20 0.33
▸ NOS2 P35228 2/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ BACE1 P56817 3/20 0.32
▸ BACE2 Q9Y5Z0 3/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ BRS3 P32247 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 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
SCHEMBL20595894 1.00 MARS2 (0.65) MARS2CRHR1NOS1NOS2NOS3
SCHEMBL20595950 0.90 MARS2 (0.79) MARS2CRHR1NOS1NOS2NOS3
SCHEMBL20596138 0.89 MARS2 (0.79) MARS2CRHR1NOS1NOS2NOS3
SCHEMBL20596215 0.81 MARS2 (0.71) MARS2CRHR1ALDH1A1HPGD
SCHEMBL30145086 0.81 MARS2 (0.71) MARS2CRHR1ALDH1A1HPGD
SCHEMBL20595838 0.80 MARS2 (0.70) MARS2ALDH1A1
SCHEMBL20596026 0.80 MARS2 (0.68) MARS2ALDH1A1
SCHEMBL20595873 0.79 MARS2 (1.00) MARS2
SCHEMBL30145156 0.79 MARS2 (1.00) MARS2
SCHEMBL20596363 0.78 MARS2 (0.74) MARS2

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 1 patent. 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 claimed

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-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them AARS1, EMG1, GARS1 MARS2 12/4885CRHR1 1725/4885NOS1 2180/4885

“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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