SCHEMBL20023266

SCHEMBL20023266

c1ccc(Cc2nnc(Nc3ccc4[nH]ncc4c3)s2)nc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 16/20 0.55
▸ ROCK1 Q13464 12/20 0.50
▸ PTK2 Q05397 1/20 0.49
▸ PTK2B Q14289 1/20 0.49
▸ MKNK1 Q9BUB5 1/20 0.47

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
SCHEMBL6768877 0.74 PTK2 (0.64) ROCK2ROCK1PTK2PTK2B
Ammonia Solution, Strong SCHEMBL6833389 0.72 PTK2 (0.58) ROCK2ROCK1PTK2PTK2B
SCHEMBL18038100 0.71 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL6259622 0.70 PTK2 (0.67) ROCK2ROCK1PTK2PTK2B
SCHEMBL18056640 0.70 ROCK2 (0.72) ROCK2ROCK1MKNK1
SCHEMBL18056629 0.70 ROCK2 (0.71) ROCK2ROCK1
SCHEMBL18038310 0.70 ROCK2 (0.69) ROCK2ROCK1
SCHEMBL5822564 0.69 EGFR (0.61) ROCK2ROCK1
SCHEMBL18056232 0.69 ROCK2 (0.69) ROCK2ROCK1
SCHEMBL18056416 0.69 ROCK2 (0.74) 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
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 ROCK2 2/4885ROCK1 1/4885PTK2 107/4885

“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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