SCHEMBL21657779

SCHEMBL21657779

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

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.75
ROCK1 Q13464 4/20 0.74
MYLK4 Q86YV6 1/20 0.74

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
SCHEMBL18827638 1.00 ROCK2 (0.75) ROCK2ROCK1MYLK4
SCHEMBL18827640 1.00 ROCK2 (0.75) ROCK2ROCK1MYLK4
SCHEMBL19932321 0.92 ROCK2 (0.70) ROCK2ROCK1MYLK4
SCHEMBL19932282 0.90 ROCK2 (0.76) ROCK2ROCK1MYLK4
SCHEMBL29192343 0.88 ROCK2 (0.84) ROCK2ROCK1MYLK4
SCHEMBL21795453 0.88 ROCK2 (0.80) ROCK2ROCK1MYLK4
SCHEMBL21790244 0.88 ROCK2 (0.80) ROCK2ROCK1MYLK4
SCHEMBL13021521 0.88 ROCK2 (0.77) ROCK2ROCK1MYLK4
SCHEMBL25778046 0.88 ROCK2 (0.77) ROCK2ROCK1MYLK4
SCHEMBL25777892 0.88 ROCK2 (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023136942-A1 SYNTHETIC INTERMEDIATES AND IMPROVED PROCESSES FOR PREPARING ROCK INHIBITORS AERIE PHARMACEUTICALS, INC. (US) 2023-07-20 WO disclosed
EP-3376870-B1 PROCESS FOR THE PREPARATION OF KINASE INHIBITORS AND INTERMEDIATES THEREOF AERIE PHARMACEUTICALS INC (US) 2021-08-11 EP disclosed
US-10550087-B2 Process for the preparation of kinase inhibitors and intermediates thereof AERIE PHARMACEUTICALS, INC. (US) 2020-02-04 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-10550087-B2 Process for the preparation of kinase inhibitors and intermediates thereof MAP3K1, MAP3K6, MAP3K7 ROCK2 202/4885ROCK1 159/4885MYLK4 341/4885

“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.