SCHEMBL21591764

SCHEMBL21591764

c1ccc(CNc2ccnc(-c3c[nH]c4nccc(Oc5ccc6c(c5)CNCC6)c34)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 13/20 0.43
CYP3A4 P08684 13/20 0.43
CYP2D6 P10635 13/20 0.43
CYP2C19 P33261 13/20 0.43
TSHR P16473 7/20 0.43
USP2 O75604 4/20 0.43
CLK4 Q9HAZ1 8/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 4/20 0.41
GBA1 P04062 1/20 0.41
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALOX15 P16050 2/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP2C9 P11712 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ACHE P22303 1/20 0.37
DYRK1A Q13627 3/20 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
SCHEMBL29836349 1.00 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL29836494 0.90 CCNT1 (0.41) CLK4MAPK1ACHEDYRK1ACDC7
SCHEMBL21591776 0.90 CCNT1 (0.41) CLK4MAPK1ACHEDYRK1ACDC7
SCHEMBL23762196 0.88 CDC7 (0.38) CLK4MAPK1ACHEDYRK1ACDC7
SCHEMBL21591763 0.86 CDC7 (0.35) CLK4MAPK1ACHEDYRK1ACDC7
SCHEMBL29836525 0.86 CDC7 (0.35) CLK4MAPK1ACHEDYRK1ACDC7
SCHEMBL21591781 0.86 CLK4 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL29836408 0.86 CLK4 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL21591772 0.86 CDC7 (0.41) CLK4CDC7PLK4CHEK1MAPK13
SCHEMBL29836411 0.86 CDC7 (0.41) CLK4CDC7PLK4CHEK1MAPK13

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
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 CYP1A2 380/4885CYP3A4 1670/4885CYP2D6 2264/4885

“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.