SCHEMBL21593062

SCHEMBL21593062

CC(C)(C)OC(=O)N1CCc2ncc(Oc3cc(Cl)nc4[nH]ccc34)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ ESR2 Q92731 1/20 0.43
▸ JAK1 P23458 7/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ ATR Q13535 5/20 0.40
▸ ATRIP Q8WXE1 5/20 0.40
▸ JAK2 O60674 3/20 0.37
▸ TYK2 P29597 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ GCK P35557 1/20 0.36
▸ GRAMD1A Q96CP6 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.35

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
SCHEMBL21593165 0.87 MAPT (0.46) ACACBMAPTESR2JAK1NR1H2
SCHEMBL21593215 0.77 NR1H2 (0.51) ACACBMAPTESR2JAK1NR1H2
SCHEMBL21593127 0.75 MAPT (0.44) ACACBMAPTESR2NR1H2GCK
SCHEMBL25156610 0.74 ESR2 (0.46) ACACBMAPTESR2NR1H2
SCHEMBL29883147 0.73 ESR2 (0.55) ACACBMAPTESR2NR1H2MAP3K5
SCHEMBL2679894 0.73 ESR2 (0.55) ACACBMAPTESR2NR1H2MAP3K5
SCHEMBL25156295 0.73 MAPT (0.51) ACACBMAPTESR2NR1H2GRAMD1A
SCHEMBL13226239 0.72 ESR2 (0.63) ACACBMAPTESR2NR1H2MAP3K5
SCHEMBL13226346 0.72 MAPT (0.50) ACACBMAPTESR2NR1H2GCK
SCHEMBL21593208 0.71 NR1H2 (0.56) MAPTESR2JAK1NR1H2JAK2

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-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 — — US disclosed
WO-2019238628-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2019-12-19 — — WO 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-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA ACACB 2494/4885MAPT 3057/4885ESR2 3940/4885

“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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