SCHEMBL21591791

SCHEMBL21591791

NCc1ccc(Oc2ccnc3[nH]cc(-c4cnn(Cc5ccncc5)c4)c23)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.45
MAPK1 P28482 2/20 0.43
ALK Q9UM73 7/20 0.42
ROCK2 O75116 5/20 0.40
CYP3A4 P08684 3/20 0.39
ROCK1 Q13464 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
AXL P30530 3/20 0.38
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL29836512 1.00 MET (0.45) METMAPK1ALKROCK2CYP3A4
SCHEMBL29836424 0.93 MET (0.45) METMAPK1ALKROCK2ROCK1
SCHEMBL21591761 0.93 MET (0.45) METMAPK1ALKROCK2ROCK1
SCHEMBL21593225 0.83 MET (0.44) METMAPK1ALKROCK2CYP3A4
SCHEMBL21593092 0.82 LRRK2 (0.41) METALKROCK2ROCK1CDC42BPB
SCHEMBL29836490 0.82 LRRK2 (0.41) METALKROCK2ROCK1CDC42BPB
SCHEMBL21593223 0.77 MET (0.44) METMAPK1ALKROCK2ROCK1
SCHEMBL29372078 0.73 ROCK2 (0.60) METALKROCK2CYP3A4ROCK1
SCHEMBL22772336 0.73 ROCK2 (0.60) METALKROCK2CYP3A4ROCK1
SCHEMBL4818727 0.73 ROCK2 (0.52) METROCK2CYP3A4AXLFLT3

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 MET 2620/4885MAPK1 393/4885ALK 554/4885

“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.