SCHEMBL21348749

SCHEMBL21348749

CC(C)Nc1cc(Cl)c2[nH]ncc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 2/20 0.42
▸ ADORA2A P29274 3/20 0.38
▸ ROCK1 Q13464 3/20 0.37
▸ RPS6KB1 P23443 2/20 0.37
▸ RPS6KA1 Q15418 1/20 0.37
▸ ROCK2 O75116 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PAK4 O96013 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ RPS6KA5 O75582 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ PIM1 P11309 1/20 0.33

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
SCHEMBL19619683 0.81 MAPT (0.37) ROCK1RPS6KB1ROCK2ALDH1A1MAPT
SCHEMBL20125125 0.75 NOS1 (0.46) NOS1ADORA2AROCK1RPS6KB1RPS6KA1
SCHEMBL22001245 0.73 ROCK2 (0.38) ROCK1RPS6KB1ROCK2ALDH1A1MAPT
SCHEMBL20106770 0.72 NOS1 (0.50) NOS1ADORA2AROCK1RPS6KB1RPS6KA1
SCHEMBL204492 0.71 NOS1 (0.53) NOS1ADORA2AALDH1A1MAPTDYRK1A
SCHEMBL2571902 0.71 ROCK1 (0.44) ROCK1RPS6KB1RPS6KA1ROCK2ALDH1A1
SCHEMBL5410108 0.70 ROCK2 (0.62) NOS1ROCK1RPS6KB1ROCK2ALDH1A1
SCHEMBL24348569 0.69 NOS1 (0.47) NOS1ADORA2AROCK1RPS6KB1RPS6KA1
SCHEMBL3601695 0.68 NOS1 (0.50) NOS1ADORA2AMAPTCSNK2A1DYRK1A
SCHEMBL759126 0.68 NOS1 (0.50) NOS1ADORA2AROCK1ROCK2ALDH1A1

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 NOS1 736/4885ADORA2A 918/4885ROCK1 1/4885
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 NOS1 736/4885ADORA2A 918/4885ROCK1 1/4885

“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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