SCHEMBL30145155

SCHEMBL30145155

COc1ccc(-c2c3c(nn2C)CCN(Cc2nc4nc(Cl)ccc4[nH]2)C3)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MARS2 Q96GW9 4/20 0.43
▸ ACHE P22303 1/20 0.38
▸ CRHR1 P34998 1/20 0.38
▸ IGF1R P08069 4/20 0.37
▸ DRD4 P21917 2/20 0.35
▸ CLPP Q16740 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ BRS3 P32247 1/20 0.34
▸ C5AR1 P21730 1/20 0.34
▸ DHFR P00374 1/20 0.33

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
SCHEMBL20595933 1.00 MARS2 (0.43) MARS2ACHECRHR1IGF1RDRD4
SCHEMBL20595969 0.87 MARS2 (0.43) MARS2ACHECRHR1DRD4CLPP
SCHEMBL30145209 0.87 MARS2 (0.43) MARS2ACHECRHR1DRD4CLPP
SCHEMBL20595863 0.82 MARS2 (0.44) MARS2ACHEDRD4
SCHEMBL30145203 0.82 MARS2 (0.44) MARS2ACHEDRD4
SCHEMBL20595993 0.80 MARS2 (0.52) MARS2ACHEDRD4CLPPHDAC1
SCHEMBL30145073 0.80 MARS2 (0.52) MARS2ACHEDRD4CLPPHDAC1
SCHEMBL30145186 0.78 MARS2 (0.46) MARS2ACHEDRD4CLPP
SCHEMBL20595906 0.78 MARS2 (0.46) MARS2ACHEDRD4CLPP
SCHEMBL23391441 0.77 MARS2 (0.46) MARS2ACHEDRD4

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 12/4885ACHE 4482/4885CRHR1 1725/4885

“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