SCHEMBL20595887

SCHEMBL20595887

COc1ccc(-c2cccc3c2CN(Cc2nc4c(C#N)c(Cl)ccc4[nH]2)C3=O)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 3/20 0.36
▸ TNKS2 Q9H2K2 3/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ ROCK2 O75116 4/20 0.34
▸ ROCK1 Q13464 4/20 0.34
▸ MARS2 Q96GW9 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TNIK Q9UKE5 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32

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
SCHEMBL20595825 0.87 HPGD (0.33) MEN1HPGDHTTKMT2ANPSR1
SCHEMBL20596081 0.85 DRD4 (0.35) TNKSTNKS2PARP2MARS2MAPK1
SCHEMBL20595883 0.82 DPP4 (0.39) ROCK2ROCK1MARS2MEN1KMT2A
SCHEMBL30145153 0.82 MARS2 (0.49) ROCK2ROCK1MARS2TNIKIDH1
SCHEMBL23391438 0.82 MARS2 (0.49) ROCK2ROCK1MARS2TNIKIDH1
SCHEMBL20596070 0.81 AMY1A (0.43) GRIN1GRIN2BDPP4DPP8DPP9
SCHEMBL23391546 0.79 IDH1 (0.37) MEN1KMT2ATNIKIDH1MAPK1
SCHEMBL23391415 0.75 DPP4 (0.36) HTTKMT2ATNIKIDH1DPP4
SCHEMBL20595700 0.75 DPP4 (0.37) MARS2TNIKIDH1DPP4DPP8
SCHEMBL23391457 0.72 HSP90AA1 (0.36) ROCK2ROCK1MARS2TNIKIDH1

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 4 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
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON 2021-05-27 — — US disclosed
WO-2018237349-A1 INHIBITORS OF TYPED 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON (US) 2018-12-27 — — 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-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them AARS1, EMG1, GARS1 TNKS 783/4885TNKS2 873/4885PARP2 2242/4885
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM AARS1, GARS1, MTR TNKS 1027/4885TNKS2 850/4885PARP2 2359/4885

“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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