SCHEMBL21348811

SCHEMBL21348811

O=C(Nc1cccc(-c2nsc(Nc3ccc4[nH]ncc4c3)n2)c1)c1c[nH]cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.60
▸ ROCK1 Q13464 6/20 0.54
▸ CLK2 P49760 3/20 0.52
▸ DYRK1A Q13627 3/20 0.52
▸ CLK4 Q9HAZ1 3/20 0.52
▸ DYRK3 O43781 2/20 0.52
▸ CLK1 P49759 1/20 0.52
▸ DYRK2 Q92630 1/20 0.52
▸ DYRK1B Q9Y463 1/20 0.52
▸ MAP4K4 O95819 2/20 0.50
▸ RPS6KB1 P23443 2/20 0.50
▸ PRKD3 O94806 1/20 0.50
▸ PRKG1 Q13976 1/20 0.50
▸ PRKD2 Q9BZL6 1/20 0.50
▸ SGK2 Q9HBY8 1/20 0.50
▸ STK17A Q9UEE5 1/20 0.50
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL19900583 0.94 ROCK2 (0.54) ROCK2ROCK1CLK2DYRK1ACLK4
SCHEMBL18038323 0.85 ROCK1 (0.73) ROCK2ROCK1CLK2DYRK1ACLK4
SCHEMBL21348495 0.83 ROCK2 (0.62) ROCK2ROCK1CLK2DYRK1ACLK4
SCHEMBL24934337 0.82 ROCK1 (0.51) ROCK2ROCK1CLK2DYRK1ACLK4
SCHEMBL30162921 0.82 ROCK1 (0.51) ROCK2ROCK1CLK2DYRK1ACLK4
SCHEMBL21330746 0.82 MAPT (0.39) ROCK2ROCK1CLK2DYRK1ACLK4
SCHEMBL24933426 0.80 ROCK1 (0.48) ROCK2ROCK1CLK2DYRK1ACLK4
SCHEMBL19900584 0.79 ROCK2 (0.51) ROCK2ROCK1CLK2DYRK1ACLK4
Trifluoroacetic Acid SCHEMBL19900403 0.78 ROCK1 (0.56) ROCK2ROCK1CLK2DYRK1ACLK4
SCHEMBL19900439 0.78 EGFR (0.47) ROCK2ROCK1CLK2DYRK1ACLK4

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-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease LYCERA CORPORATION (US) 2020-02-11 — — US disclosed
US-20190276447-A1 INDAZOLYL-1,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2019-09-12 — — 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 (2 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-20190276447-A1 INDAZOLYL-1,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE ROCK1, ROCK2, TNK2 ROCK2 2/4885ROCK1 1/4885CLK2 693/4885
US-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease ROCK1, ROCK2, TNK2 ROCK2 2/4885ROCK1 1/4885CLK2 693/4885

“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