SCHEMBL30145159

SCHEMBL30145159

COc1ccc(-c2cnc(N)c3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MARS2 Q96GW9 8/20 0.54
▸ HSP90AA1 P07900 2/20 0.35
▸ HSP90AB1 P08238 2/20 0.35
▸ NOS1 P29475 3/20 0.35
▸ NOS2 P35228 3/20 0.35
▸ NOS3 P29474 2/20 0.35
▸ ERN1 O75460 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ F10 P00742 1/20 0.30
▸ CRHR1 P34998 1/20 0.30
▸ MAPKAPK2 P49137 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
SCHEMBL20595820 1.00 MARS2 (0.54) MARS2HSP90AA1HSP90AB1NOS1NOS2
SCHEMBL20596612 0.89 MARS2 (0.57) MARS2HSP90AA1HSP90AB1NOS1NOS2
SCHEMBL30145200 0.89 MARS2 (0.57) MARS2HSP90AA1HSP90AB1NOS1NOS2
SCHEMBL20595804 0.86 MARS2 (0.49) MARS2NOS1NOS2NOS3
SCHEMBL20596061 0.84 MARS2 (0.62) MARS2HSP90AA1HSP90AB1NOS1NOS2
SCHEMBL30145178 0.84 MARS2 (0.62) MARS2HSP90AA1HSP90AB1NOS1NOS2
SCHEMBL30145173 0.83 MARS2 (0.46) MARS2
SCHEMBL20595879 0.83 MARS2 (0.46) MARS2
SCHEMBL20596138 0.82 MARS2 (0.79) MARS2HSP90AA1HSP90AB1NOS1NOS2
SCHEMBL20596133 0.81 MARS2 (0.52) MARS2HSP90AA1HSP90AB1NOS1NOS2

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 12/4885HSP90AA1 887/4885HSP90AB1 958/4885

“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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