SCHEMBL21591755

SCHEMBL21591755

c1ccc(CNc2cncc(-c3c[nH]c4nccc(Oc5ccc6c(c5)CNCC6)c34)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
CLK1 P49759 8/20 0.38
DYRK1A Q13627 8/20 0.38
ROCK2 O75116 7/20 0.38
ROCK1 Q13464 7/20 0.38
CDC42BPB Q9Y5S2 7/20 0.38
MET P08581 1/20 0.38
CDC42BPA Q5VT25 3/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ACVR1 Q04771 1/20 0.35
CYP11B2 P19099 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
SCHEMBL29836492 1.00 KCNH2 (0.39) KCNH2CLK1DYRK1AROCK2ROCK1
SCHEMBL23762196 0.86 CDC7 (0.38) DYRK1AROCK2ROCK1CDC42BPBMET
SCHEMBL29836411 0.83 CDC7 (0.41) ROCK2METACVR1
SCHEMBL21591772 0.83 CDC7 (0.41) ROCK2METACVR1
SCHEMBL21593089 0.83 BUB1 (0.37) ROCK2ROCK1CDC42BPBMETCDC42BPA
SCHEMBL29836498 0.83 BUB1 (0.37) ROCK2ROCK1CDC42BPBMETCDC42BPA
SCHEMBL21591764 0.83 CYP1A2 (0.43) DYRK1AROCK2ROCK1CDC42BPA
SCHEMBL29836349 0.83 CYP1A2 (0.43) DYRK1AROCK2ROCK1CDC42BPA
SCHEMBL21591763 0.82 CDC7 (0.35) DYRK1AROCK2ROCK1METCDC42BPA
SCHEMBL21591781 0.82 CLK4 (0.50) ROCK2MET

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 KCNH2 2539/4885CLK1 2786/4885DYRK1A 1692/4885

“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.