SCHEMBL20845520

SCHEMBL20845520

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GZMB P10144 3/20 0.42
▸ CXCR3 P49682 8/20 0.36
▸ REN P00797 5/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC10 Q969S8 2/20 0.35
▸ HDAC11 Q96DB2 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC9 Q9UKV0 2/20 0.35
▸ HDAC5 Q9UQL6 2/20 0.35
▸ PTPN1 P18031 1/20 0.34

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
SCHEMBL19182560 1.00 GZMB (0.42) GZMBCXCR3RENHDAC3HDAC4
SCHEMBL19181274 1.00 GZMB (0.42) GZMBCXCR3RENHDAC3HDAC4
SCHEMBL19180871 0.96 GZMB (0.43) GZMBCXCR3RENHDAC3HDAC4
SCHEMBL19180870 0.96 GZMB (0.43) GZMBCXCR3RENHDAC3HDAC4
SCHEMBL19181977 0.93 GZMB (0.44) GZMBRENHDAC3HDAC4HDAC1
SCHEMBL19182048 0.93 GZMB (0.44) GZMBRENHDAC3HDAC4HDAC1
SCHEMBL19181976 0.93 GZMB (0.44) GZMBRENHDAC3HDAC4HDAC1
SCHEMBL19181372 0.92 CXCR3 (0.39) CXCR3PTPN1
SCHEMBL19181373 0.92 CXCR3 (0.39) CXCR3PTPN1
SCHEMBL17491009 0.91 GZMB (0.45) GZMB

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-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

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-10246487-B2 Azaindoline compounds as granzyme B inhibitors GZMB, DNASE1L3, DNASE1 GZMB 1/4885CXCR3 535/4885REN 3094/4885
US-20200062803-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, DNASE1L3, DNASE1 GZMB 1/4885CXCR3 535/4885REN 3094/4885

“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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