SCHEMBL9883169

SCHEMBL9883169

O=C(Nc1ccc2cnccc2c1)C(CN1C(=O)c2ccccc2C1=O)c1ccc(CO)s1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.50
ROCK1 Q13464 3/20 0.50
MYLK4 Q86YV6 1/20 0.48

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
SCHEMBL13021616 0.86 ROCK2 (0.46) ROCK2ROCK1
SCHEMBL23927664 0.83 ROCK2 (0.68) ROCK2ROCK1MYLK4
SCHEMBL9883142 0.82 ROCK2 (0.66) ROCK2ROCK1MYLK4
Hydrochloric Acid SCHEMBL112565 0.81 ROCK2 (0.65) ROCK2ROCK1MYLK4
SCHEMBL113963 0.80 ROCK2 (0.53) ROCK2ROCK1MYLK4
SCHEMBL113952 0.78 ROCK2 (0.53) ROCK2ROCK1MYLK4
SCHEMBL2816916 0.76 ROCK2 (0.54) ROCK2ROCK1
SCHEMBL2778216 0.75 ROCK2 (0.47) ROCK2ROCK1MYLK4
SCHEMBL23398166 0.75 ROCK2 (0.47) ROCK2ROCK1MYLK4
SCHEMBL20078718 0.75 ROCK2 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2010-11-04 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 (2 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-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 ROCK2 2/4885ROCK1 6/4885MYLK4 196/4885
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885MYLK4 146/4885

“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.