SCHEMBL20029937

SCHEMBL20029937

O=C(O)c1ccccc1-c1nnc(Nc2ccc3[nH]ncc3c2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 15/20 0.67
▸ ROCK2 O75116 14/20 0.67
▸ PLK4 O00444 1/20 0.52
▸ CHEK1 O14757 1/20 0.52
▸ MAPK13 O15264 1/20 0.52
▸ PDPK1 O15530 1/20 0.52
▸ DAPK3 O43293 1/20 0.52
▸ DYRK3 O43781 1/20 0.52
▸ JAK2 O60674 1/20 0.52
▸ PRKD3 O94806 1/20 0.52
▸ MAP4K4 O95819 1/20 0.52
▸ PAK4 O96013 1/20 0.52
▸ CHEK2 O96017 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ EGFR P00533 1/20 0.52
▸ ERBB2 P04626 1/20 0.52
▸ NTRK1 P04629 1/20 0.52
▸ PRKCG P05129 1/20 0.52
▸ INSR P06213 1/20 0.52
▸ LCK P06239 1/20 0.52

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
SCHEMBL18038303 0.80 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL5425226 0.78 ROCK2 (0.74) ROCK1ROCK2PLK4CHEK1MAPK13
SCHEMBL18056371 0.77 ROCK1 (0.65) ROCK1ROCK2
SCHEMBL20612117 0.76 ROCK2 (0.68) ROCK1ROCK2
Trifluoroacetic Acid SCHEMBL18038136 0.75 ROCK2 (0.52) ROCK1ROCK2
SCHEMBL18056416 0.75 ROCK2 (0.74) ROCK1ROCK2
SCHEMBL18038221 0.75 ROCK2 (0.76) ROCK1ROCK2
SCHEMBL18038280 0.74 ROCK2 (0.58) ROCK1ROCK2
SCHEMBL18056557 0.74 ROCK1 (0.74) ROCK1ROCK2
SCHEMBL18056325 0.74 ROCK1 (0.56) 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 2/4885PLK4 1001/4885

“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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