SCHEMBL20028172

SCHEMBL20028172

Cn1ncc(C(=O)N[C@@H](Cc2ccccc2)C(O)C(N)=O)c1-c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.41
▸ CCR1 P32246 8/20 0.40
▸ ROCK1 Q13464 3/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ RPS6KA5 O75582 2/20 0.40
▸ RPS6KA4 O75676 2/20 0.40
▸ PRKACA P17612 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ PRKX P51817 2/20 0.40
▸ PRKG1 Q13976 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ IRAK1 P51617 1/20 0.40
▸ PKN2 Q16513 1/20 0.40
▸ SGK2 Q9HBY8 1/20 0.40
▸ HDAC8 Q9BY41 3/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ CAPN1 P07384 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
SCHEMBL20027494 0.90 HDAC8 (0.43) PYGLCCR1ROCK1ROCK2HDAC8
SCHEMBL24444088 0.85 CCR1 (0.40) PYGLCCR1HDAC8CNR1CNR2
SCHEMBL24444089 0.85 CCR1 (0.40) PYGLCCR1HDAC8CNR1CNR2
SCHEMBL22897279 0.85 CCR1 (0.41) PYGLCCR1CAPN1CNR1CNR2
SCHEMBL20028504 0.85 CCR1 (0.41) PYGLCCR1CAPN1CNR1CNR2
SCHEMBL20027497 0.84 CAPN1 (0.55) CAPN1
SCHEMBL21854213 0.84 CAPN1 (0.55) CAPN1
SCHEMBL20028168 0.82 PYGL (0.44) PYGLCCR1ROCK1ROCK2CNR1
SCHEMBL20027892 0.82 PYGL (0.44) PYGLCCR1ROCK1ROCK2CNR1
SCHEMBL20027530 0.78 CAPN1 (0.56) 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 4 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
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 (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 PYGL 925/4885CCR1 4696/4885ROCK1 2297/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 PYGL 668/4885CCR1 4788/4885ROCK1 2425/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 PYGL 925/4885CCR1 4696/4885ROCK1 2297/4885

“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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