SCHEMBL21591773

SCHEMBL21591773

c1cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)cc(NC[C@@H]2CCCO2)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.38
ROCK1 Q13464 11/20 0.35
CDC42BPB Q9Y5S2 11/20 0.35
ROCK2 O75116 10/20 0.35
CDC42BPA Q5VT25 4/20 0.34
TNK2 Q07912 5/20 0.34
UTS2R Q9UKP6 1/20 0.34
CCNT1 O60563 1/20 0.34
SYK P43405 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33

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
SCHEMBL21591774 1.00 MAPK14 (0.38) MAPK14ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL21591771 1.00 MAPK14 (0.38) MAPK14ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL29836437 1.00 MAPK14 (0.38) MAPK14ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL29836521 1.00 MAPK14 (0.38) MAPK14ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL21591767 0.89 ROCK1 (0.41) ROCK1CDC42BPBROCK2CDC42BPASYK
SCHEMBL29836303 0.89 ROCK1 (0.41) ROCK1CDC42BPBROCK2CDC42BPASYK
SCHEMBL29836563 0.88 ROCK2 (0.38) ROCK1CDC42BPBROCK2CDC42BPACCNT1
SCHEMBL21591758 0.88 ROCK2 (0.38) ROCK1CDC42BPBROCK2CDC42BPACCNT1
SCHEMBL21591792 0.82 SYK (0.37) ROCK1CDC42BPBROCK2CDC42BPASYK
SCHEMBL29836477 0.82 SYK (0.37) 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 MAPK14 304/4885ROCK1 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.