SCHEMBL24845596

SCHEMBL24845596

NCC(C(=O)Nc1cc2c(Cl)cncc2s1)c1ccc(COC(=O)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.56
ROCK1 Q13464 8/20 0.42
MYLK4 Q86YV6 1/20 0.38
AKT1 P31749 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL23109898 1.00 ROCK2 (0.56) ROCK2ROCK1MYLK4AKT1SLC6A2
SCHEMBL23109895 0.85 ROCK2 (0.59) ROCK2ROCK1MYLK4
SCHEMBL24845328 0.85 ROCK2 (0.59) ROCK2ROCK1MYLK4
SCHEMBL23501395 0.84 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL23501393 0.84 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL24845606 0.84 ROCK2 (0.51) ROCK2ROCK1MYLK4AKT1
SCHEMBL23109896 0.84 ROCK2 (0.51) ROCK2ROCK1MYLK4AKT1
SCHEMBL30744212 0.81 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL28577798 0.81 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL28577796 0.81 ROCK2 (0.65) ROCK2ROCK1

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-20230002404-A1 HETEROBICYCLIC CARBOXAMIDES AND USES THEREOF ALCON INC. (CH) 2023-01-05 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-20230002404-A1 HETEROBICYCLIC CARBOXAMIDES AND USES THEREOF UACA, PHKG2, CCAR2 ROCK2 145/4885ROCK1 260/4885MYLK4 454/4885

“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.