SCHEMBL23391457

SCHEMBL23391457

COc1ccc(-c2cccc3c2CN(Cc2nc4nc(C(F)(F)F)nc(N)c4[nH]2)C3=O)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.36
▸ HSP90AB1 P08238 2/20 0.36
▸ DPP4 P27487 3/20 0.34
▸ DPP8 Q6V1X1 3/20 0.34
▸ DPP9 Q86TI2 3/20 0.34
▸ MAPK1 P28482 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ MARS2 Q96GW9 2/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ AURKA O14965 2/20 0.31
▸ TNIK Q9UKE5 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ KDR P35968 1/20 0.30
▸ NLRP3 Q96P20 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ ROCK1 Q13464 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
SCHEMBL30145116 1.00 HSP90AA1 (0.36) HSP90AA1HSP90AB1DPP4DPP8DPP9
SCHEMBL23419370 0.90 KDR (0.36) HSP90AA1HSP90AB1DPP4DPP8DPP9
SCHEMBL20595700 0.89 DPP4 (0.37) HSP90AA1HSP90AB1DPP4DPP8DPP9
SCHEMBL23391415 0.86 DPP4 (0.36) HSP90AA1HSP90AB1DPP4DPP8DPP9
SCHEMBL23391438 0.79 MARS2 (0.49) DPP4DPP8DPP9MARS2IDH1
SCHEMBL30145153 0.79 MARS2 (0.49) DPP4DPP8DPP9MARS2IDH1
SCHEMBL23391424 0.79 UGCG (0.34) HSP90AA1HSP90AB1DPP4DPP8DPP9
SCHEMBL23391546 0.79 IDH1 (0.37) HSP90AA1HSP90AB1DPP4DPP8DPP9
SCHEMBL20595825 0.76 HPGD (0.33) DPP4DPP8DPP9MAPK1CYP3A4
SCHEMBL20595883 0.76 DPP4 (0.39) DPP4DPP8DPP9CYP3A4MARS2

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-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON 2021-05-27 — — US claimed
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

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 HSP90AA1 887/4885HSP90AB1 958/4885DPP4 1345/4885
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM AARS1, GARS1, MTR HSP90AA1 1230/4885HSP90AB1 1339/4885DPP4 1248/4885

“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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