SCHEMBL23762170

SCHEMBL23762170

CC(C)(C)OC(=O)N1CCc2ccc(Oc3ccnc4c3c(C(=O)NN)cn4COCCS(C)(C)C)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.41
▸ ACACB O00763 1/20 0.38
▸ ESR2 Q92731 1/20 0.36
▸ GCK P35557 6/20 0.34
▸ MAP3K5 Q99683 2/20 0.34
▸ F10 P00742 3/20 0.34
▸ PLG P00747 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ PORCN Q9H237 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ LIPC P11150 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL23762183 0.93 NR1H2 (0.39) NR1H2ACACBESR2GCKMAP3K5
SCHEMBL23762190 0.92 NR1H2 (0.40) NR1H2ACACBESR2GCKF10
SCHEMBL23762171 0.91 NR1H2 (0.41) NR1H2ACACBESR2GCKMAP3K5
SCHEMBL22802663 0.90 NR1H2 (0.41) NR1H2ACACBESR2GCKMAP3K5
SCHEMBL23762088 0.89 NR1H2 (0.41) NR1H2ACACBESR2GCKF10
SCHEMBL23762200 0.87 NR1H2 (0.39) NR1H2ACACBESR2GCKF10
SCHEMBL23762154 0.87 NR1H2 (0.39) NR1H2ACACBESR2GCKF10
SCHEMBL23762173 0.86 NR1H2 (0.38) NR1H2ACACBESR2GCKF10
SCHEMBL23762209 0.85 NR1H2 (0.40) NR1H2ACACBESR2GCKF10
SCHEMBL23762144 0.85 NR1H2 (0.40) NR1H2ACACBESR2GCKF10

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 1 patent. 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

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 1422/4885ACACB 2494/4885ESR2 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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