SCHEMBL23308016

SCHEMBL23308016

CC(C)NC(=O)c1c(C#N)cccc1Nc1ccc(OCc2ccccn2)cc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.42
▸ GPR132 Q9UNW8 1/20 0.40
▸ KMT2A Q03164 2/20 0.37
▸ RET P07949 6/20 0.36
▸ MAPK14 Q16539 2/20 0.35
▸ SMO Q99835 2/20 0.35
▸ STK4 Q13043 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ERBB2 P04626 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
SCHEMBL31504402 0.88 PTGES (0.41) GPR132
SCHEMBL21617288 0.88 PTGES (0.41) GPR132
SCHEMBL31504440 0.78 PTGES (0.45) GPR132
SCHEMBL21617212 0.78 PTGES (0.45) GPR132
SCHEMBL21617159 0.76 CNR2 (0.42) CNR2KMT2AMAPK14SMOSMN1; SMN2
SCHEMBL31504370 0.76 CNR2 (0.42) CNR2KMT2AMAPK14SMOSMN1; SMN2
SCHEMBL21617197 0.76 CTSK (0.40) CNR2GPR132KMT2AMAPK14SMO
SCHEMBL31504434 0.76 CTSK (0.40) CNR2GPR132KMT2AMAPK14SMO
SCHEMBL21617266 0.76 PTGES (0.44) GPR132
SCHEMBL31504425 0.76 PTGES (0.44) GPR132

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-20210122732-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-04-29 — — 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-20210122732-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION NSUN3, CBR3, C1R CNR2 496/4885GPR132 2767/4885KMT2A 2374/4885

“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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