SCHEMBL21593215

SCHEMBL21593215

CC(C)(C)OC(=O)N1CCc2ccc(Oc3ccnc4[nH]ccc34)cc2C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.51
▸ ESR2 Q92731 1/20 0.47
▸ MAP3K7 O43318 2/20 0.45
▸ MAPT P10636 1/20 0.43
▸ ACACB O00763 1/20 0.43
▸ MET P08581 8/20 0.41
▸ JAK1 P23458 4/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ BRAF P15056 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ TNNI3K Q59H18 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ MAP4K2 Q12851 1/20 0.41

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 0.89 MAPT (0.46) NR1H2ESR2MAP3K7MAPTACACB
SCHEMBL21593208 0.85 NR1H2 (0.56) NR1H2ESR2MAPTJAK1MAPK14
SCHEMBL21593123 0.83 NR1H2 (0.48) NR1H2ESR2MAPTACACBMET
SCHEMBL23326766 0.78 NR1H2 (0.47) NR1H2ESR2MAPTACACBMET
SCHEMBL21593211 0.78 ROCK2 (0.44) NR1H2ESR2MAPTACACBBRAF
SCHEMBL21593062 0.77 ACACB (0.45) NR1H2ESR2MAPTACACBJAK1
SCHEMBL21593114 0.76 NR1H2 (0.44) NR1H2ESR2MAPTACACBIGF1R
SCHEMBL545512 0.75 NR1H2 (0.54) NR1H2ESR2BRAFKDR
SCHEMBL23762242 0.75 NR1H2 (0.43) NR1H2ESR2MAPTACACBMET
SCHEMBL25307616 0.74 JAK1 (0.48) NR1H2ESR2MAPTACACBJAK1

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 NR1H2 1422/4885ESR2 3940/4885MAP3K7 108/4885

“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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