SCHEMBL21593173

SCHEMBL21593173

Cc1ccc(S(=O)(=O)n2cc(-c3cnn(C)c3)c3c(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ccnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.39
▸ RET P07949 5/20 0.38
▸ ESR2 Q92731 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ MERTK Q12866 5/20 0.36
▸ TYRO3 Q06418 4/20 0.36
▸ ACACB O00763 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ CYBB P04839 1/20 0.34
▸ AXL P30530 2/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PDGFRA P16234 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
SCHEMBL21593108 0.90 NR1H2 (0.42) NR1H2ESR2HTR6ACACB
SCHEMBL21593106 0.90 NR1H2 (0.39) NR1H2ESR2HTR6ACACB
SCHEMBL21593191 0.89 NR1H2 (0.38) NR1H2ESR2HTR6ACACB
SCHEMBL21593189 0.88 NR1H2 (0.37) NR1H2ESR2HTR6ACACB
SCHEMBL21593084 0.87 NR1H2 (0.42) NR1H2ESR2HTR6ACACB
SCHEMBL29836554 0.87 NR1H2 (0.38) NR1H2BRAF
SCHEMBL21593192 0.87 NR1H2 (0.38) NR1H2BRAF
SCHEMBL21593118 0.86 NR1H2 (0.36) NR1H2HTR6ACACB
SCHEMBL21593117 0.86 NR1H2 (0.34) NR1H2ESR2HTR6ACACB
SCHEMBL23762175 0.85 UCHL1 (0.35) NR1H2CSF1RPDGFRBPDGFRA

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 1422/4885RET 2094/4885ESR2 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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