SCHEMBL21593089

SCHEMBL21593089

c1cncc(CNc2cc(-c3c[nH]c4nccc(Oc5ccc6c(c5)CNCC6)c34)ccn2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.37
CYP1A2 P05177 5/20 0.36
CYP3A4 P08684 5/20 0.36
CYP2C19 P33261 4/20 0.36
HSD17B10 Q99714 4/20 0.36
CLK4 Q9HAZ1 4/20 0.36
CYP2D6 P10635 3/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
MET P08581 1/20 0.36
ROCK2 O75116 11/20 0.36
ROCK1 Q13464 11/20 0.36
CDC42BPB Q9Y5S2 11/20 0.36
CDC42BPA Q5VT25 4/20 0.36
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 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
SCHEMBL29836498 1.00 BUB1 (0.37) BUB1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL23762196 0.93 CDC7 (0.38) BUB1CLK4MAPK1METROCK2
SCHEMBL29836477 0.85 SYK (0.37) CYP2C19ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL21591792 0.85 SYK (0.37) CYP2C19ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL21591778 0.85 PIM1 (0.37) BUB1CLK4MAPK1METROCK2
SCHEMBL29836513 0.85 PIM1 (0.37) BUB1CLK4MAPK1METROCK2
SCHEMBL21591767 0.85 ROCK1 (0.41) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL29836303 0.85 ROCK1 (0.41) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL21593205 0.84 ROCK1 (0.34) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL29836549 0.84 ROCK1 (0.34) ROCK2ROCK1CDC42BPBCDC42BPA

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 6 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-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 BUB1 2388/4885CYP1A2 380/4885CYP3A4 1670/4885

“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.