SCHEMBL21593211

SCHEMBL21593211

Cn1cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)c23)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.44
▸ ROCK1 Q13464 2/20 0.44
▸ CDC42BPB Q9Y5S2 2/20 0.44
▸ NR1H2 P55055 1/20 0.43
▸ RET P07949 5/20 0.41
▸ MERTK Q12866 5/20 0.41
▸ TYRO3 Q06418 4/20 0.41
▸ ACACB O00763 1/20 0.41
▸ BRAF P15056 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ AXL P30530 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAP4K1 Q92918 1/20 0.38
▸ CDC42BPA Q5VT25 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.37

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
SCHEMBL21593220 0.84 NR1H2 (0.43) NR1H2BRAFESR2
SCHEMBL21593123 0.84 NR1H2 (0.48) ROCK2NR1H2ACACBESR2AXL
SCHEMBL21593214 0.83 TBK1 (0.40) ROCK2ROCK1CDC42BPBNR1H2ACACB
SCHEMBL21593079 0.83 RAF1 (0.40) NR1H2BRAFESR2LRRK2
SCHEMBL21593081 0.83 NR1H2 (0.40) ROCK2ROCK1CDC42BPBNR1H2ACACB
SCHEMBL21593101 0.83 NR1H2 (0.40) ROCK2ROCK1CDC42BPBNR1H2ACACB
SCHEMBL21593226 0.83 BUB1 (0.40) ROCK2ROCK1CDC42BPBNR1H2ACACB
SCHEMBL21593228 0.82 PORCN (0.41) ROCK2ROCK1CDC42BPBNR1H2ACACB
SCHEMBL21593077 0.82 HCRTR2 (0.41) ROCK2ROCK1CDC42BPBNR1H2ACACB
SCHEMBL21593216 0.82 NR1H2 (0.38) ROCK2ROCK1CDC42BPBNR1H2ACACB

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 ROCK2 2/4885ROCK1 1/4885CDC42BPB 47/4885

“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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