SCHEMBL23927626

SCHEMBL23927626

NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(CNN)cc1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.80
ROCK1 Q13464 3/20 0.80
MYLK4 Q86YV6 1/20 0.80

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
Netarsudil-M1 SCHEMBL21412824 0.89 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL30607238 0.89 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL30607241 0.89 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL9883166 0.89 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL30607237 0.89 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL21430354 0.89 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL30692376 0.89 ROCK2 (1.00) ROCK2ROCK1MYLK4
SCHEMBL20016619 0.88 ROCK2 (0.82) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL111706 0.88 ROCK2 (0.98) ROCK2ROCK1MYLK4
SCHEMBL13074858 0.87 ROCK2 (1.00) ROCK2ROCK1MYLK4

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-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR VIVAVISION (SHANGHAI) LTD (CN) 2022-10-20 US disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 EP disclosed
CN-111217834-B Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2021-10-26 CN disclosed
CN-111217834-A Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2020-06-02 CN 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-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR ROCK1, NOS1, ROCK2 ROCK2 3/4885ROCK1 1/4885MYLK4 127/4885

“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.