SCHEMBL23762172

SCHEMBL23762172

CC(C)(C)OC(=O)N1CCc2ccc(Oc3ccnc4c3c(C#C[Si](C)(C)C)cn4COCC[Si](C)(C)C)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.39
▸ ACACB O00763 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ MAPT P10636 2/20 0.32
▸ UCHL1 P09936 1/20 0.32
▸ F10 P00742 4/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ PORCN Q9H237 1/20 0.31
▸ ABCB1 P08183 1/20 0.30
▸ PLG P00747 2/20 0.30
▸ PRSS1 P07477 1/20 0.30
▸ PRSS2 P07478 1/20 0.30
▸ PRSS3 P35030 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
SCHEMBL29836550 1.00 NR1H2 (0.39) NR1H2ACACBESR2MAPTUCHL1
SCHEMBL29372226 0.92 NR1H2 (0.40) NR1H2ACACBESR2MAPTP2RX3
SCHEMBL29836536 0.92 NR1H2 (0.40) NR1H2ACACBESR2MAPTF10
SCHEMBL23762153 0.92 NR1H2 (0.40) NR1H2ACACBESR2MAPTF10
SCHEMBL23751164 0.91 HRH3 (0.33) F10HRH3PORCNABCB1PLG
SCHEMBL29371186 0.89 NR1H2 (0.42) NR1H2ACACBESR2MAPTF10
SCHEMBL22802664 0.89 NR1H2 (0.42) NR1H2ACACBESR2MAPTF10
SCHEMBL23762087 0.88 NR1H2 (0.41) NR1H2ACACBESR2MAPTF10
SCHEMBL29368831 0.88 NR1H2 (0.41) NR1H2ACACBESR2MAPTF10
SCHEMBL23751283 0.88 NR1H2 (0.41) NR1H2ACACBESR2MAPTF10

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 1 patent. 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

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 1422/4885ACACB 2494/4885ESR2 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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