SCHEMBL21591769

SCHEMBL21591769

NCc1ccc(Oc2ccnc3[nH]cc(-c4ccnc(NCc5ccccc5)n4)c23)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.44
CCNT1 O60563 9/20 0.43
CDK9 P50750 9/20 0.43
CDK2 P24941 9/20 0.43
CCNA2 P20248 8/20 0.43
CDK5 Q00535 6/20 0.41
CDK5R1 Q15078 6/20 0.41
CCNA1 P78396 5/20 0.41
ROCK2 O75116 3/20 0.39
CYP3A4 P08684 2/20 0.39
AXL P30530 1/20 0.39
CDC7 O00311 2/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
GSK3B P49841 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
CCNB2 O95067 1/20 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
SCHEMBL29836473 1.00 MET (0.44) METCCNT1CDK9CDK2CCNA2
SCHEMBL29836557 0.86 CLK4 (0.53) METCDK2ROCK2CYP3A4AXL
SCHEMBL21593203 0.86 CLK4 (0.53) METCDK2ROCK2CYP3A4AXL
SCHEMBL21591789 0.84 MET (0.44) METCDK9CDK2CDK5ROCK2
SCHEMBL29836539 0.84 MET (0.44) METCDK9CDK2CDK5ROCK2
SCHEMBL21593234 0.83 MET (0.42) METCCNT1CDK9CDK2CCNA2
SCHEMBL29836424 0.76 MET (0.45) METROCK2AXLMKNK2
SCHEMBL21591761 0.76 MET (0.45) METROCK2AXLMKNK2
SCHEMBL22772336 0.75 ROCK2 (0.60) METCDK2ROCK2CYP3A4AXL
SCHEMBL29372078 0.75 ROCK2 (0.60) METCDK2ROCK2CYP3A4AXL

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 2620/4885CCNT1 1657/4885CDK9 438/4885

“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.