SCHEMBL18056571

SCHEMBL18056571

Cn1ccnc1-c1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 19/20 0.78
▸ ROCK2 O75116 2/20 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
SCHEMBL18056644 0.90 ROCK1 (0.73) ROCK1ROCK2
SCHEMBL20023257 0.88 ROCK1 (0.81) ROCK1ROCK2
SCHEMBL18056457 0.88 ROCK1 (0.80) ROCK1ROCK2
SCHEMBL18056494 0.88 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL18056270 0.85 ROCK1 (0.76) ROCK1ROCK2
SCHEMBL21349133 0.85 ROCK1 (0.58) ROCK1ROCK2
SCHEMBL18038175 0.84 ROCK1 (0.66) ROCK1ROCK2
SCHEMBL18056272 0.84 ROCK1 (0.74) ROCK1ROCK2
SCHEMBL18056501 0.82 ROCK1 (0.64) ROCK1ROCK2
Trifluoroacetic Acid SCHEMBL18038204 0.82 ROCK1 (0.71) 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