SCHEMBL21591778

SCHEMBL21591778

c1ccc(CNc2cc(-c3c[nH]c4nccc(Oc5cnc6c(c5)CNCC6)c34)ccn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.37
DYRK1A Q13627 2/20 0.37
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
ROCK2 O75116 8/20 0.37
ROCK1 Q13464 8/20 0.37
CDC7 O00311 3/20 0.37
CDK2 P24941 3/20 0.37
CDK9 P50750 3/20 0.37
PLK4 O00444 2/20 0.37
CHEK1 O14757 2/20 0.37
JAK2 O60674 2/20 0.37
EGFR P00533 2/20 0.37
CSF1R P07333 2/20 0.37
RET P07949 2/20 0.37
FGFR1 P11362 2/20 0.37
PRKACA P17612 2/20 0.37
TYK2 P29597 2/20 0.37
AKT1 P31749 2/20 0.37
KDR P35968 2/20 0.37

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
SCHEMBL29836513 1.00 PIM1 (0.37) PIM1DYRK1ADYRK2DYRK1BROCK2
SCHEMBL23762196 0.90 CDC7 (0.38) PIM1DYRK1ADYRK2DYRK1BROCK2
SCHEMBL29836498 0.85 BUB1 (0.37) ROCK2ROCK1CDK9CDC42BPAMAPK1
SCHEMBL21593089 0.85 BUB1 (0.37) ROCK2ROCK1CDK9CDC42BPAMAPK1
SCHEMBL21591754 0.79 DYRK1A (0.39) PIM1DYRK1ADYRK2DYRK1BROCK2
SCHEMBL29836485 0.79 DYRK1A (0.39) PIM1DYRK1ADYRK2DYRK1BROCK2
SCHEMBL21591781 0.79 CLK4 (0.50) PIM1ROCK2CDC7CDK2CDK9
SCHEMBL29836408 0.79 CLK4 (0.50) PIM1ROCK2CDC7CDK2CDK9
SCHEMBL21591755 0.79 KCNH2 (0.39) DYRK1AROCK2ROCK1CDC42BPAMET
SCHEMBL29836492 0.79 KCNH2 (0.39) DYRK1AROCK2ROCK1CDC42BPAMET

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 7 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
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 PIM1 1177/4885DYRK1A 1692/4885DYRK2 1350/4885

“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.