SCHEMBL23419370

SCHEMBL23419370

COc1cc(Cl)c(-c2cccc3c2CN(Cc2nc4nc(C(F)(F)F)nc(N)c4[nH]2)C3=O)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.36
▸ MARS2 Q96GW9 2/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ UGCG Q16739 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ DPP4 P27487 2/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP9 Q86TI2 1/20 0.30
▸ AKT1 P31749 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
SCHEMBL23391457 0.90 HSP90AA1 (0.36) KDRMARS2HSP90AA1HSP90AB1NLRP3
SCHEMBL30145116 0.90 HSP90AA1 (0.36) KDRMARS2HSP90AA1HSP90AB1NLRP3
SCHEMBL23391424 0.89 UGCG (0.34) KDRMARS2ABCB1HSP90AA1HSP90AB1
SCHEMBL30145285 0.79 MARS2 (0.52) KDRMARS2ABCB1UGCGDRD2
SCHEMBL20595909 0.79 MARS2 (0.52) KDRMARS2ABCB1UGCGDRD2
SCHEMBL20595700 0.78 DPP4 (0.37) MARS2HSP90AA1HSP90AB1DPP4CYP3A4
SCHEMBL23391415 0.75 DPP4 (0.36) HSP90AA1HSP90AB1DPP4CYP3A4CYP2C19
SCHEMBL23391438 0.68 MARS2 (0.49) MARS2DPP4DPP8DPP9
SCHEMBL30145153 0.68 MARS2 (0.49) MARS2DPP4DPP8DPP9
SCHEMBL23391546 0.68 IDH1 (0.37) HSP90AA1HSP90AB1DPP4CYP3A4CYP2C19

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 2 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

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 KDR 4404/4885MARS2 12/4885ABCB1 2032/4885
US-20210155617-A1 INHIBITORS OF TYPE l METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM AARS1, GARS1, MTR KDR 4142/4885MARS2 5/4885ABCB1 2062/4885

“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