SCHEMBL21348752

SCHEMBL21348752

CC(C)Nc1ccc2[nH]nc(CCC(C)Nc3ccc4[nH]ncc4c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.43
ROCK1 Q13464 6/20 0.43
ITK Q08881 2/20 0.41
AXL P30530 1/20 0.39
CDC7 O00311 1/20 0.37
MAPK13 O15264 1/20 0.37
DAPK3 O43293 1/20 0.37
DYRK3 O43781 1/20 0.37
RPS6KA5 O75582 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PRKCG P05129 1/20 0.37
CDK1 P06493 1/20 0.37
PIM1 P11309 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK1 P28482 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37

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
SCHEMBL5410108 0.79 ROCK2 (0.62) ROCK2ROCK1CDC7MAPK13DAPK3
SCHEMBL13483442 0.68 ALDH1A1 (0.62) MAPK1DYRK1AMEN1KMT2A
SCHEMBL21348750 0.68 ROCK1 (0.33) ROCK2ROCK1GSK3B
SCHEMBL13122158 0.66 ROCK2 (0.55) ROCK2ROCK1CDC7MAPK1MKNK1
SCHEMBL5414929 0.65 ROCK2 (0.56) ROCK2ROCK1RPS6KA5PRKD3MAP4K4
SCHEMBL13122244 0.65 ROCK2 (0.54) ROCK2ROCK1PIM1CDK2MAPK1
SCHEMBL21348753 0.65
SCHEMBL27989422 0.64 ROCK2 (0.52) ROCK2ROCK1CDC7MAPK13DAPK3
SCHEMBL2569041 0.64 ROCK2 (0.63) ROCK2ROCK1CDC7PRKD3MAP4K4
SCHEMBL12257075 0.63 JAK2 (0.60) ROCK2ROCK1PIM1MAPK1GSK3B

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 1/4885ITK 622/4885
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 1/4885ITK 622/4885

“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.