SCHEMBL21593123

SCHEMBL21593123

CC(C)(C)OC(=O)N1CCc2ccc(Oc3ccnc4[nH]cc(I)c34)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.48
▸ ESR2 Q92731 1/20 0.45
▸ MAPT P10636 2/20 0.42
▸ ACACB O00763 1/20 0.41
▸ IGF1R P08069 1/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ CDK9 P50750 1/20 0.37
▸ PORCN Q9H237 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ ABHD6 Q9BV23 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ MET P08581 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ SCN9A Q15858 1/20 0.34

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
SCHEMBL21593127 0.90 MAPT (0.44) NR1H2ESR2MAPTACACBIGF1R
SCHEMBL21593128 0.86 NR1H2 (0.53) NR1H2ESR2MAPTACACBIGF1R
SCHEMBL21593211 0.84 ROCK2 (0.44) NR1H2ESR2MAPTACACBROCK2
SCHEMBL21593215 0.83 NR1H2 (0.51) NR1H2ESR2MAPTACACBIGF1R
SCHEMBL21593220 0.82 NR1H2 (0.43) NR1H2ESR2IGF1RCDK9MET
SCHEMBL21593214 0.81 TBK1 (0.40) NR1H2ESR2MAPTACACBIGF1R
SCHEMBL21593079 0.81 RAF1 (0.40) NR1H2ESR2
SCHEMBL21593101 0.81 NR1H2 (0.40) NR1H2ESR2MAPTACACBIGF1R
SCHEMBL21593081 0.81 NR1H2 (0.40) NR1H2ESR2MAPTACACBIGF1R
SCHEMBL21593226 0.81 BUB1 (0.40) NR1H2ESR2MAPTACACBIGF1R

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 3940/4885MAPT 3057/4885

“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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