Sugi Predict

Sugi Predict / Compounds / SCHEMBL17533865

SCHEMBL17533865

SCHEMBL17533865

Clc1ccc2[nH]c(N3CCC[C@H](NCc4cc(Br)cc(Br)c4)C3)nc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.45
▸ ROCK2 O75116 10/20 0.38
▸ GRM2 Q14416 2/20 0.35
▸ GRM3 Q14832 2/20 0.35
▸ CCR2 P41597 3/20 0.33
▸ ROCK1 Q13464 3/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ DGAT2 Q96PD7 2/20 0.32
▸ BTK Q06187 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ NFKB2 Q00653 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
SCHEMBL19377888 1.00 GRIN2B (0.45) GRIN2BROCK2GRM2GRM3CCR2
SCHEMBL19378045 0.95 GRIN2B (0.49) GRIN2BROCK2GRM2GRM3CCR2
SCHEMBL17513332 0.95 GRIN2B (0.49) GRIN2BROCK2GRM2GRM3CCR2
SCHEMBL17513287 0.92 GRIN2B (0.53) GRIN2BROCK2CCR2ROCK1PPARA
SCHEMBL17513284 0.92 GRIN2B (0.53) GRIN2BROCK2CCR2ROCK1PPARA
SCHEMBL17533803 0.92 GRIN2B (0.53) GRIN2BROCK2CCR2ROCK1PPARA
SCHEMBL17533789 0.89 GRIN2B (0.50) GRIN2BROCK2CCR2ROCK1PPARA
SCHEMBL17533801 0.84 GRIN2B (0.46) GRIN2BROCK2CCR2ROCK1PPARA
SCHEMBL19378022 0.84 GRIN2B (0.46) GRIN2BROCK2CCR2ROCK1PPARA
SCHEMBL17513452 0.83 GRIN2B (0.35) GRIN2BROCK2GRM2GRM3CCR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 — — US claimed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 — — US claimed
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 — — US disclosed
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 — — US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 — — US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 — — US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 — — US disclosed
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 — — 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-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE AARS1, MTR, GARS1 GRIN2B 1938/4885ROCK2 3338/4885GRM2 1476/4885
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase AARS1, MTR, GARS1 GRIN2B 1938/4885ROCK2 3338/4885GRM2 1476/4885

“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.