SCHEMBL18056451

SCHEMBL18056451

CC(=O)Cc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 18/20 1.00
▸ ROCK2 O75116 2/20 0.73

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
SCHEMBL18056634 0.87 ROCK1 (0.77) ROCK1ROCK2
SCHEMBL18056260 0.85 ROCK1 (0.81) ROCK1ROCK2
SCHEMBL18056547 0.84 ROCK1 (0.73) ROCK1ROCK2
SCHEMBL18056262 0.84 ROCK2 (1.00) ROCK1ROCK2
SCHEMBL20029972 0.81 ROCK1 (0.68) ROCK1ROCK2
SCHEMBL18056544 0.81 ROCK1 (0.87) ROCK1ROCK2
SCHEMBL18056485 0.81 ROCK1 (0.80) ROCK1ROCK2
SCHEMBL18056480 0.81 ROCK1 (0.80) ROCK1ROCK2
SCHEMBL18056402 0.81 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL18056483 0.81 ROCK1 (1.00) 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 2 patents. 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
WO-2016138335-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2016-09-01 — — 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 (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.

Send feedback