SCHEMBL19181279

SCHEMBL19181279

CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)N1c2ncccc2C[C@H]1C(=O)NCCc1nn[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 11/20 0.40
▸ NAALAD2 Q9Y3Q0 1/20 0.37
▸ ITGB3 P05106 6/20 0.37
▸ ITGA2B P08514 6/20 0.37
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC1 Q13547 1/20 0.36

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
SCHEMBL19181280 1.00 CXCR3 (0.40) CXCR3NAALAD2ITGB3ITGA2BHDAC8
SCHEMBL19180854 0.93 CXCR3 (0.37) CXCR3NAALAD2ITGB3ITGA2BHDAC8
SCHEMBL19180858 0.93 CXCR3 (0.37) CXCR3NAALAD2ITGB3ITGA2BHDAC8
SCHEMBL19182028 0.92 CXCR3 (0.37) CXCR3HDAC8HDAC1
SCHEMBL19182030 0.92 CXCR3 (0.37) CXCR3HDAC8HDAC1
SCHEMBL19181372 0.89 CXCR3 (0.39) CXCR3ITGB3ITGA2B
SCHEMBL19181373 0.89 CXCR3 (0.39) CXCR3ITGB3ITGA2B
SCHEMBL19181326 0.87 CMA1 (0.37) CXCR3HDAC8HDAC1
SCHEMBL19181328 0.87 CMA1 (0.37) CXCR3HDAC8HDAC1
SCHEMBL19180980 0.85 GZMB (0.36) CXCR3HDAC8

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 CXCR3 535/4885NAALAD2 249/4885ITGB3 1040/4885
US-10246487-B2 Azaindoline compounds as granzyme B inhibitors GZMB, DNASE1L3, DNASE1 CXCR3 535/4885NAALAD2 249/4885ITGB3 1040/4885
US-20200062803-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, DNASE1L3, DNASE1 CXCR3 535/4885NAALAD2 249/4885ITGB3 1040/4885

“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