SCHEMBL21591784

SCHEMBL21591784

O=C(Nc1cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)ncn1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.40
CDK9 P50750 3/20 0.39
MET P08581 1/20 0.37
EGFR P00533 2/20 0.36
ERBB3 P21860 2/20 0.36
MELK Q14680 2/20 0.35
SLC2A1 P11166 1/20 0.35
SYK P43405 1/20 0.35
ITGB3 P05106 3/20 0.35
ITGA2 P17301 3/20 0.35
DYRK1A Q13627 3/20 0.35
AURKA O14965 2/20 0.35
CDC7 O00311 1/20 0.35
MAP4K4 O95819 1/20 0.35
CDK8 P49336 1/20 0.35
MAPK14 Q16539 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
STK17A Q9UEE5 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
ITGA2B P08514 2/20 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
SCHEMBL29836321 1.00 ADORA3 (0.40) ADORA3CDK9METEGFRERBB3
SCHEMBL29836408 0.84 CLK4 (0.50) CDK9METEGFRCDC7MAP4K4
SCHEMBL21591781 0.84 CLK4 (0.50) CDK9METEGFRCDC7MAP4K4
SCHEMBL21593158 0.83 CDK2 (0.35) CDK9METEGFRDYRK1ACDC7
SCHEMBL29836410 0.83 CLK4 (0.41) CDK9METEGFRDYRK1ACDC7
SCHEMBL23751147 0.83 CDK2 (0.35) CDK9METEGFRDYRK1ACDC7
SCHEMBL21591756 0.83 CLK4 (0.41) CDK9METEGFRDYRK1ACDC7
SCHEMBL21593206 0.83 CDK2 (0.35) CDK9METEGFRDYRK1ACDC7
SCHEMBL29836470 0.83 CDK2 (0.35) CDK9METEGFRDYRK1ACDC7
SCHEMBL29836441 0.83 CDK2 (0.35) CDK9METEGFRDYRK1ACDC7

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 ADORA3 1027/4885CDK9 438/4885MET 2620/4885

“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.