SCHEMBL21750853

SCHEMBL21750853

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GZMB P10144 17/20 0.40
▸ NAALAD2 Q9Y3Q0 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL19182476 1.00 GZMB (0.40) GZMBNAALAD2KDM4EALDH1A1CYP1A2
SCHEMBL19182477 1.00 GZMB (0.40) GZMBNAALAD2KDM4EALDH1A1CYP1A2
SCHEMBL17491004 0.94 GZMB (0.46) GZMB
SCHEMBL17490990 0.94 GZMB (0.46) GZMB
SCHEMBL21750834 0.94 GZMB (0.46) GZMB
SCHEMBL19181349 0.94 GZMB (0.46) GZMB
SCHEMBL19182556 0.92 GZMB (0.37) GZMBALDH1A1
SCHEMBL19182557 0.92 GZMB (0.37) GZMBALDH1A1
SCHEMBL19182030 0.91 CXCR3 (0.37) GZMB
SCHEMBL19182028 0.91 CXCR3 (0.37) 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 1 patent. 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

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-20200062803-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, DNASE1L3, DNASE1 GZMB 1/4885NAALAD2 249/4885KDM4E 1778/4885

“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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