SCHEMBL21593119

SCHEMBL21593119

Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(NCc4nccs4)c3)c3c(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ccnc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.36
▸ NR1H2 P55055 1/20 0.34
▸ ACACB O00763 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ HTR6 P50406 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GCK P35557 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ WNT3A P56704 2/20 0.31
▸ NAMPT P43490 2/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ PTK2 Q05397 1/20 0.30
▸ IGF1R P08069 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
SCHEMBL21593182 0.93 HCRTR2 (0.35) HCRTR2NR1H2ACACBGPR119HTR6
SCHEMBL21593076 0.90 ACHE (0.39) NR1H2ACACBHTR6MEN1KMT2A
SCHEMBL29836556 0.90 ACHE (0.39) NR1H2ACACBHTR6MEN1KMT2A
SCHEMBL21593117 0.89 NR1H2 (0.34) NR1H2ACACBGPR119HTR6MEN1
SCHEMBL21593118 0.89 NR1H2 (0.36) NR1H2ACACBGPR119HTR6NAMPT
SCHEMBL21593191 0.88 NR1H2 (0.38) NR1H2ACACBGPR119HTR6MEN1
SCHEMBL21593189 0.87 NR1H2 (0.37) NR1H2ACACBGPR119HTR6MEN1
SCHEMBL29836554 0.86 NR1H2 (0.38) NR1H2MAPTWNT3AIGF1R
SCHEMBL21593192 0.86 NR1H2 (0.38) NR1H2MAPTWNT3AIGF1R
SCHEMBL23762101 0.86 BCL2 (0.36) NR1H2ACACBGPR119MEN1KMT2A

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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