SCHEMBL20029752

SCHEMBL20029752

Cc1cnoc1C(=O)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 17/20 0.71
▸ ROCK2 O75116 13/20 0.61

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
Trifluoroacetic Acid SCHEMBL18038250 0.95 ROCK1 (0.65) ROCK1ROCK2
SCHEMBL18056522 0.86 ROCK1 (0.77) ROCK1ROCK2
SCHEMBL18056557 0.84 ROCK1 (0.74) ROCK1ROCK2
SCHEMBL18038163 0.83 ROCK1 (0.79) ROCK1ROCK2
SCHEMBL18056355 0.82 ROCK1 (0.73) ROCK1ROCK2
SCHEMBL18056407 0.82 ROCK1 (0.69) ROCK1ROCK2
Trifluoroacetic Acid SCHEMBL18038296 0.81 ROCK1 (0.70) ROCK1ROCK2
SCHEMBL18056553 0.81 ROCK1 (0.72) ROCK1ROCK2
SCHEMBL18038229 0.80 ROCK1 (0.76) ROCK1ROCK2
SCHEMBL18056616 0.80 ROCK1 (0.69) ROCK1ROCK2

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-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-04-05 — — 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-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE ROCK1, ROCK2, CIT ROCK1 1/4885ROCK2 2/4885

“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.

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