SCHEMBL21591767

SCHEMBL21591767

c1cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)cc(NCC2CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 13/20 0.41
CDC42BPB Q9Y5S2 13/20 0.41
ROCK2 O75116 12/20 0.41
CDC42BPA Q5VT25 4/20 0.40
HRH4 Q9H3N8 1/20 0.39
STK4 Q13043 1/20 0.39
STK3 Q13188 1/20 0.39
SYK P43405 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
PRKCI P41743 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 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
SCHEMBL29836303 1.00 ROCK1 (0.41) ROCK1CDC42BPBROCK2CDC42BPAHRH4
SCHEMBL29836563 0.95 ROCK2 (0.38) ROCK1CDC42BPBROCK2CDC42BPAHRH4
SCHEMBL21591758 0.95 ROCK2 (0.38) ROCK1CDC42BPBROCK2CDC42BPAHRH4
SCHEMBL21591774 0.89 MAPK14 (0.38) ROCK1CDC42BPBROCK2CDC42BPASYK
SCHEMBL29836521 0.89 MAPK14 (0.38) ROCK1CDC42BPBROCK2CDC42BPASYK
SCHEMBL21591773 0.89 MAPK14 (0.38) ROCK1CDC42BPBROCK2CDC42BPASYK
SCHEMBL21591771 0.89 MAPK14 (0.38) ROCK1CDC42BPBROCK2CDC42BPASYK
SCHEMBL29836437 0.89 MAPK14 (0.38) ROCK1CDC42BPBROCK2CDC42BPASYK
SCHEMBL23762196 0.87 CDC7 (0.38) ROCK1CDC42BPBROCK2CDC42BPASTK3
SCHEMBL21591768 0.87 ROCK2 (0.39) ROCK1CDC42BPBROCK2CDC42BPASYK

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807273-B1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2022-08-03 EP claimed
US-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 US claimed
EP-3807273-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2021-04-21 EP claimed
WO-2019238628-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2019-12-19 WO claimed
EP-3807273-B1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2022-08-03 EP disclosed
US-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 US disclosed
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 ROCK1 1/4885CDC42BPB 47/4885ROCK2 2/4885

“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.