SCHEMBL19181364

SCHEMBL19181364

CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1c2ncccc2C[C@H]1C(=O)NCc1nn[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GZMB P10144 2/20 0.36
▸ RORC P51449 1/20 0.35
▸ SCN9A Q15858 5/20 0.34
▸ CXCR3 P49682 7/20 0.34
▸ CALCRL Q16602 1/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ HDAC8 Q9BY41 2/20 0.32
▸ GCGR P47871 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL19181362 1.00 GZMB (0.36) GZMBRORCSCN9ACXCR3CALCRL
SCHEMBL19181365 1.00 GZMB (0.36) GZMBRORCSCN9ACXCR3CALCRL
SCHEMBL19180980 0.94 GZMB (0.36) GZMBRORCSCN9ACXCR3CALCRL
SCHEMBL19180973 0.94 GZMB (0.36) GZMBRORCSCN9ACXCR3CALCRL
SCHEMBL19180866 0.91 CXCR3 (0.38) GZMBRORCSCN9ACXCR3HDAC8
SCHEMBL19180865 0.91 CXCR3 (0.38) GZMBRORCSCN9ACXCR3HDAC8
SCHEMBL19180867 0.91 CXCR3 (0.38) GZMBRORCSCN9ACXCR3HDAC8
SCHEMBL19180858 0.90 CXCR3 (0.37) GZMBRORCSCN9ACXCR3CYP3A4
SCHEMBL19180854 0.90 CXCR3 (0.37) GZMBRORCSCN9ACXCR3CYP3A4
SCHEMBL17600514 0.89 XIAP (0.41) GZMBCXCR3CYP3A4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062803-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2020-02-27 — — US disclosed
US-10246487-B2 Azaindoline compounds as granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2019-04-02 — — US disclosed
US-20170218014-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-08-03 — — 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 (3 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-20170218014-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, DNASE1L3, DNASE1 GZMB 1/4885RORC 3743/4885SCN9A 2377/4885
US-10246487-B2 Azaindoline compounds as granzyme B inhibitors GZMB, DNASE1L3, DNASE1 GZMB 1/4885RORC 3743/4885SCN9A 2377/4885
US-20200062803-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, DNASE1L3, DNASE1 GZMB 1/4885RORC 3743/4885SCN9A 2377/4885

“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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