SCHEMBL21591788

SCHEMBL21591788

O=C(Cn1cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)nn1)NCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.38
CCNE1 P24864 4/20 0.38
CDK2 P24941 4/20 0.38
TSHR P16473 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
PDE4B Q07343 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MET P08581 1/20 0.33
CCNK O75909 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL29836529 1.00 MGAM (0.38) MGAMCCNE1CDK2TSHRHDAC8
SCHEMBL29836453 0.79 ALDH1A1 (0.45) SMN1; SMN2POLBALDH1A1
SCHEMBL21591785 0.79 ALDH1A1 (0.45) SMN1; SMN2POLBALDH1A1
SCHEMBL21591772 0.79 CDC7 (0.41) CDK2METJAK2
SCHEMBL29836411 0.79 CDC7 (0.41) CDK2METJAK2
SCHEMBL21591776 0.77 CCNT1 (0.41) CDK2METJAK2
SCHEMBL29836494 0.77 CCNT1 (0.41) CDK2METJAK2
SCHEMBL21591781 0.77 CLK4 (0.50) CDK2TSHRALDH1A1METJAK2
SCHEMBL29836408 0.77 CLK4 (0.50) CDK2TSHRALDH1A1METJAK2
SCHEMBL21591763 0.76 CDC7 (0.35) CCNE1CDK2METJAK2SYK

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 MGAM 4444/4885CCNE1 2283/4885CDK2 730/4885

“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.