SCHEMBL18056629

SCHEMBL18056629

Nc1cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)ccn1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 14/20 0.71
▸ ROCK1 Q13464 12/20 0.60
▸ QPCT Q16769 1/20 0.53
▸ QPCTL Q9NXS2 1/20 0.53
▸ MAPKAPK2 P49137 1/20 0.53

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
SCHEMBL20023285 0.83 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL18056640 0.82 ROCK2 (0.72) ROCK2ROCK1MAPKAPK2
SCHEMBL18038310 0.82 ROCK2 (0.69) ROCK2ROCK1MAPKAPK2
SCHEMBL18038152 0.82 ROCK2 (0.71) ROCK2ROCK1
SCHEMBL18056309 0.81 ROCK1 (0.59) ROCK2ROCK1
SCHEMBL18056639 0.81 ROCK2 (1.00) ROCK2ROCK1QPCTQPCTL
SCHEMBL18056323 0.80 ROCK1 (0.58) ROCK2ROCK1
SCHEMBL29664352 0.79 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL20023284 0.79 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL18038314 0.79 ROCK2 (1.00) ROCK2ROCK1

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 ROCK2 2/4885ROCK1 1/4885QPCT 4499/4885

“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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