SCHEMBL21591786

SCHEMBL21591786

c1cncc(CCNc2cc(-c3c[nH]c4nccc(Oc5ccc6c(c5)CNCC6)c34)ncn2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 12/20 0.38
CYP3A4 P08684 12/20 0.38
CYP2C19 P33261 9/20 0.38
CYP2D6 P10635 8/20 0.38
HSD17B10 Q99714 7/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 2/20 0.38
CLK4 Q9HAZ1 14/20 0.38
ALOX15 P16050 6/20 0.38
USP2 O75604 4/20 0.38
CDK2 P24941 5/20 0.38
CDC7 O00311 4/20 0.38
ROCK2 O75116 4/20 0.38
PIM1 P11309 4/20 0.38
PRKACA P17612 4/20 0.38
GSK3B P49841 4/20 0.38
HIPK2 Q9H2X6 4/20 0.38
IRAK4 Q9NWZ3 4/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 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
SCHEMBL29836544 1.00 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL29836410 0.93 CLK4 (0.41) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL21591756 0.93 CLK4 (0.41) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL21591781 0.87 CLK4 (0.50) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL29836408 0.87 CLK4 (0.50) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL21591766 0.85 CLK4 (0.37) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL29836334 0.85 CLK4 (0.37) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL21593089 0.82 BUB1 (0.37) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL29836498 0.82 BUB1 (0.37) CYP1A2CYP3A4CYP2C19CYP2D6HSD17B10
SCHEMBL21593090 0.81 ROCK2 (0.35) CYP1A2CYP3A4CYP2C19CYP2D6CLK4

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 CYP1A2 380/4885CYP3A4 1670/4885CYP2C19 952/4885

“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.