SCHEMBL21591758

SCHEMBL21591758

c1cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)cc(NCC2CCOCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.38
ROCK1 Q13464 9/20 0.38
CDC42BPB Q9Y5S2 9/20 0.38
DYRK1A Q13627 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
CDK9 P50750 5/20 0.35
CCNT1 O60563 5/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
IKBKE Q14164 1/20 0.35

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
SCHEMBL29836563 1.00 ROCK2 (0.38) ROCK2ROCK1CDC42BPBDYRK1ACDC42BPA
SCHEMBL29836303 0.95 ROCK1 (0.41) ROCK2ROCK1CDC42BPBCDC42BPAHRH4
SCHEMBL21591767 0.95 ROCK1 (0.41) ROCK2ROCK1CDC42BPBCDC42BPAHRH4
SCHEMBL29836437 0.88 MAPK14 (0.38) ROCK2ROCK1CDC42BPBCDC42BPACCNT1
SCHEMBL29836521 0.88 MAPK14 (0.38) ROCK2ROCK1CDC42BPBCDC42BPACCNT1
SCHEMBL21591774 0.88 MAPK14 (0.38) ROCK2ROCK1CDC42BPBCDC42BPACCNT1
SCHEMBL21591773 0.88 MAPK14 (0.38) ROCK2ROCK1CDC42BPBCDC42BPACCNT1
SCHEMBL21591771 0.88 MAPK14 (0.38) ROCK2ROCK1CDC42BPBCDC42BPACCNT1
SCHEMBL21591793 0.85 MAPK10 (0.43) PIK3CDPIK3CAPIK3CB
SCHEMBL29836435 0.85 MAPK10 (0.43) PIK3CDPIK3CAPIK3CB

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 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.