SCHEMBL22896093

SCHEMBL22896093

NC(=O)C(=O)C(Cc1cnc[nH]1)NC(=O)c1nsnc1-c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 3/20 0.43
▸ ICAM1 P05362 3/20 0.43
▸ ITGAL P20701 3/20 0.43
▸ SCN9A Q15858 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CAPN1 P07384 3/20 0.39
▸ NLN Q9BYT8 1/20 0.39
▸ AGTR2 P50052 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL22896969 0.87 CAPN1 (0.42) CAPN1
SCHEMBL22896435 0.85 CAPN1 (0.44) CAPN1
SCHEMBL22896052 0.85 CAPN1 (0.42) CAPN1
SCHEMBL22896891 0.84 CAPN1 (0.44) CAPN1
SCHEMBL22896974 0.84 CAPN1 (0.48) CAPN1
SCHEMBL21854095 0.84 CAPN1 (0.54) CAPN1
SCHEMBL22896644 0.84 CAPN1 (0.43) CAPN1
SCHEMBL22896870 0.83 CAPN1 (0.48) CAPN1
SCHEMBL22897050 0.83 CAPN1 (0.40) CAPN1
SCHEMBL22896037 0.83 CAPN1 (0.40) CAPN1

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-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 — — US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 — — US disclosed
US-10894776-B2 — — 2021-01-19 — — 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ITGB2 3672/4885ICAM1 4477/4885ITGAL 4110/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 ITGB2 2933/4885ICAM1 4485/4885ITGAL 3478/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ITGB2 3672/4885ICAM1 4477/4885ITGAL 4110/4885

“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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