SCHEMBL21974268

SCHEMBL21974268

CCCCc1cn(-c2cccc(C)c2)nn1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 14/20 0.59
▸ GRIN1 Q05586 14/20 0.59
▸ GRIN2B Q13224 14/20 0.59
▸ MIF P14174 1/20 0.55
▸ DDX3X O00571 4/20 0.54

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
SCHEMBL19211383 0.81 NOTUM (0.68) RXRAGRIN1GRIN2B
SCHEMBL16785617 0.81 NOTUM (0.66) RXRAGRIN1GRIN2B
SCHEMBL21974270 0.79 RXRA (0.68) RXRAGRIN1GRIN2BDDX3X
SCHEMBL16271203 0.78 MIF (0.71) MIFDDX3X
Bromide SCHEMBL1886330 0.78 MIF (0.71) MIFDDX3X
Bromide SCHEMBL1880908 0.77 MIF (0.69) MIFDDX3X
Bromide SCHEMBL1890839 0.77 MIF (0.69) MIFDDX3X
Bromide SCHEMBL1880796 0.77 MIF (0.69) MIFDDX3X
Bromide SCHEMBL1883955 0.77 MIF (0.69) MIFDDX3X
SCHEMBL14323567 0.75 HDAC8 (0.59) RXRAGRIN1GRIN2BDDX3X

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-10941121-B2 Human helicase DDX3 inhibitors as therapeutic agents AZIENDA OSPEDALIERA UNIVERSITARIA SENESE (IT) 2021-03-09 — — US disclosed
US-20200140398-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS AZIENDA OSPEDALIERA UNIVERSITARIA SENESE (IT) 2020-05-07 — — 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 (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-20200140398-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS DDX3X, DDX39B, DDX1 RXRA 3130/4885GRIN1 3494/4885GRIN2B 3787/4885
US-10941121-B2 Human helicase DDX3 inhibitors as therapeutic agents DDX3X, DDX39B, DDX1 RXRA 3130/4885GRIN1 3494/4885GRIN2B 3787/4885

“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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