SCHEMBL21593182

SCHEMBL21593182

Cc1ccc(S(=O)(=O)n2cc(-c3cc(NCc4nccs4)ncn3)c3c(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ccnc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.35
▸ NR1H2 P55055 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ KIT P10721 1/20 0.31
▸ GPR119 Q8TDV5 2/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MKNK1 Q9BUB5 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ MAP3K5 Q99683 3/20 0.30
▸ GCK P35557 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL21593119 0.93 HCRTR2 (0.36) HCRTR2NR1H2ACACBKITGPR119
SCHEMBL21593100 0.90 ACHE (0.38) NR1H2ACACBHTR6MEN1KMT2A
SCHEMBL29836487 0.90 ACHE (0.38) NR1H2ACACBHTR6MEN1KMT2A
SCHEMBL21593181 0.87 HTR6 (0.35) NR1H2ACACBHTR6MEN1KMT2A
SCHEMBL21593186 0.86 HTR6 (0.36) NR1H2ACACBGPR119HTR6ESR2
SCHEMBL21593138 0.85 HCRTR2 (0.34) HCRTR2NR1H2ACACBKITGPR119
SCHEMBL23762076 0.85 GCK (0.36) NR1H2HTR6MEN1KMT2AMAP3K5
SCHEMBL21593137 0.84 HTR6 (0.35) NR1H2ACACBGPR119HTR6MAP3K5
SCHEMBL21593188 0.84 HTR6 (0.35) NR1H2ACACBGPR119HTR6MAP3K5
SCHEMBL21593238 0.83 HCRTR2 (0.39) HCRTR2NR1H2ACACBESR2MAP3K5

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 HCRTR2 2567/4885NR1H2 1422/4885ACACB 2494/4885

“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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