SCHEMBL21591768

SCHEMBL21591768

COCCNc1cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.39
CDK9 P50750 2/20 0.39
CDC7 O00311 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
CDK7 P50613 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
ROCK1 Q13464 7/20 0.37
CDC42BPB Q9Y5S2 7/20 0.37
LRRK2 Q5S007 1/20 0.37
SYK P43405 4/20 0.37
AURKB Q96GD4 2/20 0.37
INCENP Q9NQS7 2/20 0.37
CCNT1 O60563 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL29836446 1.00 ROCK2 (0.39) ROCK2CDK9CDC7PIM1PRKACA
SCHEMBL29836303 0.87 ROCK1 (0.41) ROCK2ROCK1CDC42BPBSYKAURKB
SCHEMBL21591767 0.87 ROCK1 (0.41) ROCK2ROCK1CDC42BPBSYKAURKB
SCHEMBL23762196 0.85 CDC7 (0.38) ROCK2CDK9CDC7PIM1PRKACA
SCHEMBL29836477 0.84 SYK (0.37) ROCK2ROCK1CDC42BPBSYKAURKB
SCHEMBL21591792 0.84 SYK (0.37) ROCK2ROCK1CDC42BPBSYKAURKB
SCHEMBL21593089 0.83 BUB1 (0.37) ROCK2CDK9ROCK1CDC42BPBCDC42BPA
SCHEMBL21593205 0.83 ROCK1 (0.34) ROCK2ROCK1CDC42BPBSYKAURKB
SCHEMBL29836498 0.83 BUB1 (0.37) ROCK2CDK9ROCK1CDC42BPBCDC42BPA
SCHEMBL29836549 0.83 ROCK1 (0.34) ROCK2ROCK1CDC42BPBSYKAURKB

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 2/4885CDK9 438/4885CDC7 529/4885

“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.