SCHEMBL22772328

SCHEMBL22772328

C[Si](C)(C)CCOCn1cc(C#N)c2c(Oc3ccc4c(c3)CN(C(=O)O)CC4)ccnc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 13/20 0.37
▸ MAPT P10636 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ ABCB1 P08183 2/20 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
SCHEMBL23751145 0.93 HRH3 (0.34) S1PR1KMT2AHRH3ABCB1
SCHEMBL23751164 0.91 HRH3 (0.33) S1PR1HRH3ABCB1
SCHEMBL29372226 0.91 NR1H2 (0.40) S1PR1MAPT
SCHEMBL22772343 0.89 HRH3 (0.35) MAPTMEN1KMT2AHRH3ALDH1A1
SCHEMBL22772329 0.89 HRH3 (0.35) KMT2AHRH3ABCB1
SCHEMBL23751241 0.87 F10 (0.36) MAPTMEN1KMT2AHRH3ALDH1A1
SCHEMBL23751254 0.87 F10 (0.37) MAPTKMT2AHRH3ABCB1
SCHEMBL23751117 0.86 HRH3 (0.35) HRH3ABCB1
SCHEMBL23751200 0.85 F10 (0.33) MAPTMEN1KMT2AHRH3ALDH1A1
SCHEMBL23762153 0.83 NR1H2 (0.40) MAPTHRH3ABCB1

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 3 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
EP-3728248-B1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2022-02-02 — — EP 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 S1PR1 956/4885MAPT 2490/4885MEN1 3170/4885
US-20200392133-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA S1PR1 956/4885MAPT 2490/4885MEN1 3170/4885

“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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