SCHEMBL21593186

SCHEMBL21593186

Cc1ccc(S(=O)(=O)n2cc(-c3cc(NCCS(=O)(=O)c4ccccc4)ncn3)c3c(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ccnc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.36
▸ ACACB O00763 1/20 0.34
▸ NR1H2 P55055 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ NR4A1 P22736 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GCK P35557 1/20 0.32
▸ P2RX7 Q99572 2/20 0.31
▸ MMP13 P45452 3/20 0.31
▸ ADAM17 P78536 2/20 0.31
▸ MMP2 P08253 2/20 0.31
▸ MMP14 P50281 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ PTK2 Q05397 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 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
SCHEMBL21593181 0.93 HTR6 (0.35) HTR6ACACBNR1H2GCKP2RX7
SCHEMBL21593100 0.91 ACHE (0.38) HTR6ACACBNR1H2GCKP2RX7
SCHEMBL29836487 0.91 ACHE (0.38) HTR6ACACBNR1H2GCKP2RX7
SCHEMBL21593138 0.90 HCRTR2 (0.34) HTR6ACACBNR1H2GCKGPR119
SCHEMBL23762076 0.89 GCK (0.36) HTR6NR1H2GCKLMNA
SCHEMBL21593137 0.88 HTR6 (0.35) HTR6ACACBNR1H2GCKP2RX7
SCHEMBL21593188 0.88 HTR6 (0.35) HTR6ACACBNR1H2GCKP2RX7
SCHEMBL21593182 0.86 HCRTR2 (0.35) HTR6ACACBNR1H2ESR2GCK
SCHEMBL21593241 0.85 ACACB (0.36) ACACBNR1H2ESR2GCKJAK2
SCHEMBL23751199 0.84 ALDH1A1 (0.38) POLBNR4A1ESR2TDP1MMP2

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 HTR6 2835/4885ACACB 2494/4885NR1H2 1422/4885

“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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