SCHEMBL23308002

SCHEMBL23308002

N#CC1(C(=O)Nc2cccc(Nc3ccc(OCc4ccccn4)cc3C3CC3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ CNR2 P34972 4/20 0.38
▸ RHOA P61586 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MET P08581 2/20 0.37
▸ MAPK14 Q16539 1/20 0.36
▸ SMO Q99835 1/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ ERBB4 Q15303 1/20 0.35
▸ GPR132 Q9UNW8 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
SCHEMBL31504454 0.87 KMT2A (0.38) TYK2JAK3BTKCNR2KMT2A
SCHEMBL21617236 0.87 KMT2A (0.38) TYK2JAK3BTKCNR2KMT2A
SCHEMBL21617195 0.80 MET (0.44) TYK2JAK3SMN1; SMN2CNR2RHOA
SCHEMBL21617298 0.79 PARP10 (0.52) TYK2JAK3CNR2RHOAMAPK14
SCHEMBL31504428 0.79 PARP10 (0.52) TYK2JAK3CNR2RHOAMAPK14
SCHEMBL21623433 0.79 KMT2A (0.48) SMN1; SMN2RHOAKMT2ANPC1RAB9A
SCHEMBL21617169 0.77 PRMT3 (0.45) TYK2JAK3SMN1; SMN2ALOX15RHOA
SCHEMBL31504434 0.77 CTSK (0.40) TYK2JAK3CNR2KMT2AMET
SCHEMBL21617197 0.77 CTSK (0.40) TYK2JAK3CNR2KMT2AMET
SCHEMBL21623448 0.77 DGAT1 (0.40) TYK2JAK3SMN1; SMN2CNR2RHOA

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 TYK2 2212/4885JAK3 933/4885SMN1; SMN2 2002/4885

“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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