SCHEMBL23139902

SCHEMBL23139902

Cc1cn(-c2ccccc2OCC(F)(F)F)c(=O)c2c(C(N)=O)cnn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 2/20 0.42
▸ SCN9A Q15858 3/20 0.42
▸ KDM4E B2RXH2 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ ADRA1D P25100 7/20 0.37
▸ ADRA1A P35348 7/20 0.37
▸ ADRA1B P35368 7/20 0.37
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34

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
SCHEMBL22729782 0.91 UGCG (0.43) UGCGSCN9AKDM4EHPGDHSD17B10
SCHEMBL22729663 0.89 KDM4E (0.45) UGCGKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL22729828 0.85 ADRA1A (0.38) UGCGSCN9AADRA1DADRA1AADRA1B
SCHEMBL22729643 0.83 UGCG (0.51) UGCGSCN9AKDM4ELMNAMAPT
SCHEMBL29839326 0.83 UGCG (0.51) UGCGSCN9AKDM4ELMNAMAPT
SCHEMBL29839299 0.82 UGCG (0.67) UGCGSCN9AKDM4EHPGDHSD17B10
SCHEMBL22729397 0.82 UGCG (0.67) UGCGSCN9AKDM4EHPGDHSD17B10
SCHEMBL22729530 0.81 UGCG (0.48) UGCGSCN9AMAPK1MAPT
SCHEMBL22729804 0.81 UGCG (0.48) UGCGSCN9AMAPT
SCHEMBL29839298 0.81 UGCG (0.48) UGCGSCN9AMAPT

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-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — 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 (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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC UGCG 8/4885SCN9A 2915/4885KDM4E 1315/4885

“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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