SCHEMBL21623402

SCHEMBL21623402

c1ccc(COc2ccc(Nc3cccc(-c4nnn(CC5CC5)n4)c3)c(C3CC3)c2)nc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ GABRG2 P18507 10/20 0.37
▸ GABRB3 P28472 10/20 0.37
▸ GABRA5 P31644 10/20 0.37
▸ GABRA3 P34903 10/20 0.37
▸ GABRA2 P47869 10/20 0.37
▸ GABRA1 P14867 9/20 0.37
▸ IGF1R P08069 1/20 0.36
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ CREBBP Q92793 2/20 0.33
▸ RHOA P61586 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ EP300 Q09472 1/20 0.33

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
SCHEMBL21617310 0.89 GABRA1 (0.37) TYK2JAK3GABRG2GABRB3GABRA5
SCHEMBL31504414 0.89 GABRA1 (0.37) TYK2JAK3GABRG2GABRB3GABRA5
SCHEMBL31504317 0.88 GABRA1 (0.38) TYK2JAK3GABRG2GABRB3GABRA5
SCHEMBL21617308 0.88 GABRA1 (0.38) TYK2JAK3GABRG2GABRB3GABRA5
SCHEMBL21623436 0.87 RHOA (0.36) TYK2JAK3GABRG2GABRB3GABRA5
SCHEMBL31504356 0.87 PLAT (0.38) TYK2JAK3GABRG2GABRB3GABRA5
SCHEMBL21617240 0.87 PLAT (0.38) TYK2JAK3GABRG2GABRB3GABRA5
SCHEMBL21623406 0.86 GABRA1 (0.36) TYK2JAK3GABRG2GABRB3GABRA5
SCHEMBL23272976 0.85 GABRG2 (0.38) TYK2JAK3GABRG2GABRB3GABRA5
SCHEMBL31504410 0.85 GABRG2 (0.38) TYK2JAK3GABRG2GABRB3GABRA5

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-20210122732-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-04-29 — — US disclosed
WO-2020011816-A1 PHENYL/PYRIDYL-N-PHENYL/PYRIDYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2020-01-16 — — 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 (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-20210122732-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION NSUN3, CBR3, C1R TYK2 2212/4885JAK3 933/4885GABRG2 2061/4885

“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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