SCHEMBL21790290

SCHEMBL21790290

CC(C)OCc1ccc([C@@H](CN)C(=O)Nc2ccc3cnccc3c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.81
ROCK1 Q13464 3/20 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
SCHEMBL21790291 1.00 ROCK2 (0.81) ROCK2ROCK1MYLK4
SCHEMBL21790243 0.92 ROCK2 (0.70) ROCK2ROCK1MYLK4
SCHEMBL21795342 0.92 ROCK2 (0.70) ROCK2ROCK1MYLK4
SCHEMBL21790248 0.90 ROCK2 (0.72) ROCK2ROCK1MYLK4
SCHEMBL21790240 0.90 ROCK2 (0.72) ROCK2ROCK1MYLK4
SCHEMBL21795453 0.90 ROCK2 (0.80) ROCK2ROCK1MYLK4
SCHEMBL21790244 0.90 ROCK2 (0.80) ROCK2ROCK1MYLK4
SCHEMBL21790286 0.90 ROCK2 (0.76) ROCK2ROCK1MYLK4
SCHEMBL21790292 0.90 ROCK2 (0.76) ROCK2ROCK1MYLK4
SCHEMBL113527 0.89 ROCK2 (0.78) 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-11691950-B2 Isoquinoline-steroid conjugates and uses thereof AERIE PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-11059789-B2 Isoquinoline-steroid conjugates and uses thereof AERIE PHARMACEUTICALS, INC. (US) 2021-07-13 US disclosed
US-20200071275-A1 ISOQUINOLINE-STEROID CONJUGATES AND USES THEREOF ALCON INC. (CH) 2020-03-05 US disclosed
WO-2020047496-A1 ISOQUINOLINE-STEROID CONJUGATES AND USES THEREOF AERIE PHARMACEUTICALS, INC. (US) 2020-03-05 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-20200071275-A1 ISOQUINOLINE-STEROID CONJUGATES AND USES THEREOF GRK1, TNK2, CYP11B2 ROCK2 172/4885ROCK1 210/4885MYLK4 217/4885
US-11059789-B2 Isoquinoline-steroid conjugates and uses thereof GRK1, TNK2, CYP11B2 ROCK2 172/4885ROCK1 210/4885MYLK4 217/4885
US-11691950-B2 Isoquinoline-steroid conjugates and uses thereof GRK1, TNK2, CYP11B2 ROCK2 172/4885ROCK1 210/4885MYLK4 217/4885

“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.