SCHEMBL21623400

SCHEMBL21623400

c1ccc(COc2ccc(Nc3cccc(-n4cc(CC5CCCCC5)nn4)c3)c(C3CC3)c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 9/20 0.38
▸ GRIN1 Q05586 9/20 0.38
▸ GRIN2B Q13224 9/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ MCHR1 Q99705 1/20 0.35
▸ VCP P55072 1/20 0.35
▸ CA12 O43570 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35

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
SCHEMBL31504429 1.00 RXRA (0.38) RXRAGRIN1GRIN2BJAK2ROCK2
SCHEMBL23308001 0.90 JAK2 (0.39) RXRAGRIN1GRIN2BJAK2ROCK2
SCHEMBL31504417 0.86 RXRA (0.42) RXRAGRIN1GRIN2BMCHR1
SCHEMBL21623435 0.86 RXRA (0.42) RXRAGRIN1GRIN2BMCHR1
SCHEMBL21623471 0.86 DDX3X (0.41) RXRAGRIN1GRIN2BKCNH2MCHR1
SCHEMBL31504394 0.86 DDX3X (0.41) RXRAGRIN1GRIN2BKCNH2MCHR1
SCHEMBL21617311 0.86 KCNH2 (0.41) RXRAGRIN1GRIN2BJAK2ROCK2
SCHEMBL21617268 0.79 SIRT2 (0.40) MCHR1
SCHEMBL31504397 0.79 SIRT2 (0.40) MCHR1
SCHEMBL21617195 0.77 MET (0.44) MCHR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820850-B1 PHENYL/PYRIDYL-N-PHENYL/PYRIDYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2026-04-01 — — EP disclosed
US-12421206-B2 Aryl-n-aryl derivatives for treating a RNA virus infection ABIVAX (FR) 2025-09-23 — — US disclosed
US-20210122732-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-04-29 — — US disclosed
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 (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-12421206-B2 Aryl-n-aryl derivatives for treating a RNA virus infection NSUN3, CBR3, C1R RXRA 1617/4885GRIN1 3308/4885GRIN2B 2952/4885
US-20210122732-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION NSUN3, CBR3, C1R RXRA 1617/4885GRIN1 3308/4885GRIN2B 2952/4885

“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