SCHEMBL21591793

SCHEMBL21591793

O=C(Nc1cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)ccn1)C1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 5/20 0.43
MAPK8 P45983 4/20 0.43
MAPK14 Q16539 4/20 0.43
GSK3B P49841 4/20 0.42
PIP5K1C O60331 12/20 0.41
PIK3CA P42336 10/20 0.41
PIP5K1B O14986 3/20 0.39
PIP5K1A Q99755 3/20 0.39
PIK3CD O00329 2/20 0.38
PDGFRB P09619 2/20 0.38
PIK3CB P42338 2/20 0.38
PI4KA P42356 2/20 0.38
PIK3CG P48736 2/20 0.38
PDK1 Q15118 2/20 0.38
PI4KB Q9UBF8 2/20 0.38

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
SCHEMBL29836435 1.00 MAPK10 (0.43) MAPK10MAPK8MAPK14GSK3BPIP5K1C
SCHEMBL29836417 0.95 GSK3B (0.47) MAPK14GSK3B
SCHEMBL21591765 0.95 GSK3B (0.47) MAPK14GSK3B
SCHEMBL21591782 0.92 GSK3B (0.43) MAPK14GSK3B
SCHEMBL29836423 0.92 GSK3B (0.43) MAPK14GSK3B
SCHEMBL21593202 0.89 MAP4K1 (0.37) GSK3BPIP5K1CPIK3CA
SCHEMBL29836563 0.85 ROCK2 (0.38) PIK3CAPIK3CDPIK3CB
SCHEMBL21591758 0.85 ROCK2 (0.38) PIK3CAPIK3CDPIK3CB
SCHEMBL21593250 0.83 BRAF (0.36) GSK3B
SCHEMBL29836438 0.83 BRAF (0.36) GSK3B

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 MAPK10 521/4885MAPK8 981/4885MAPK14 304/4885

“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.