SCHEMBL20028609

SCHEMBL20028609

Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc(OC(F)(F)F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DCAF1 Q9Y4B6 1/20 0.51
▸ CAPN1 P07384 17/20 0.48
▸ ITGB1 P05556 1/20 0.48
▸ ITGA4 P13612 1/20 0.48
▸ ITGB7 P26010 1/20 0.48
▸ IRAK4 Q9NWZ3 1/20 0.47

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
SCHEMBL30133611 1.00 DCAF1 (0.51) DCAF1CAPN1ITGB1ITGA4ITGB7
SCHEMBL21854382 1.00 DCAF1 (0.51) DCAF1CAPN1ITGB1ITGA4ITGB7
SCHEMBL21854097 0.89 KMT2A (0.54) DCAF1CAPN1
SCHEMBL20027513 0.89 KMT2A (0.54) DCAF1CAPN1
SCHEMBL21854336 0.87 CAPN1 (0.62) DCAF1CAPN1ITGB1ITGA4ITGB7
SCHEMBL20028604 0.87 CAPN1 (0.62) DCAF1CAPN1ITGB1ITGA4ITGB7
SCHEMBL21854269 0.86 DCAF1 (0.54) DCAF1CAPN1
SCHEMBL20028617 0.86 DCAF1 (0.54) DCAF1CAPN1
SCHEMBL20027495 0.86 DCAF1 (0.53) DCAF1CAPN1
SCHEMBL21854327 0.86 DCAF1 (0.53) DCAF1CAPN1

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 5 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
US-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2020-04-23 — — US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 — — WO 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 (4 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-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 DCAF1 3091/4885CAPN1 3/4885ITGB1 3429/4885
US-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 DCAF1 3091/4885CAPN1 3/4885ITGB1 3429/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 DCAF1 3598/4885CAPN1 4/4885ITGB1 2849/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 DCAF1 3091/4885CAPN1 3/4885ITGB1 3429/4885

“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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