SCHEMBL22802664

SCHEMBL22802664

Cc1cn(COCC[Si](C)(C)C)c2nccc(Oc3ccc4c(c3)CN(C(=O)OC(C)(C)C)CC4)c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.42
▸ ESR2 Q92731 1/20 0.39
▸ ACACB O00763 1/20 0.39
▸ MAPT P10636 3/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ ABCB1 P08183 3/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ PORCN Q9H237 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL29371186 1.00 NR1H2 (0.42) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL23762087 0.92 NR1H2 (0.41) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL29368831 0.92 NR1H2 (0.41) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL23751283 0.91 NR1H2 (0.41) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL22802663 0.91 NR1H2 (0.41) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL22772343 0.90 HRH3 (0.35) MAPTHRH3F10ABCB1PORCN
SCHEMBL23762153 0.90 NR1H2 (0.40) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL23762182 0.90 NR1H2 (0.40) NR1H2ESR2ACACBMAPTHRH3
SCHEMBL23762199 0.90 NR1H2 (0.40) NR1H2ESR2ACACBMAPTJAK2
SCHEMBL29372226 0.90 NR1H2 (0.40) NR1H2ESR2ACACBMAPTP2RX3

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-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2022-05-17 — — US disclosed
US-20200392133-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-12-17 — — 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 (2 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-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors ROCK1, ROCK2, RHOA NR1H2 1964/4885ESR2 3924/4885ACACB 3188/4885
US-20200392133-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA NR1H2 1964/4885ESR2 3924/4885ACACB 3188/4885

“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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