SCHEMBL21591787

SCHEMBL21591787

CC(C)OCC(=O)Nc1cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)ccn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SYK P43405 5/20 0.36
MET P08581 3/20 0.35
MAP4K1 Q92918 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
CDC42BPB Q9Y5S2 2/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
PORCN Q9H237 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 2/20 0.33
INCENP Q9NQS7 2/20 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
SCHEMBL29836404 1.00 RAB9A (0.40) RAB9ANPC1SYKMETMAP4K1
SCHEMBL21593249 0.86 HRH3 (0.41) RAB9ANPC1SYKMETROCK2
SCHEMBL29836475 0.86 HRH3 (0.41) RAB9ANPC1SYKMETROCK2
SCHEMBL21591765 0.85 GSK3B (0.47) METGSK3BKDR
SCHEMBL29836417 0.85 GSK3B (0.47) METGSK3BKDR
SCHEMBL21593250 0.85 BRAF (0.36) RAB9ANPC1SYKMETMAP4K1
SCHEMBL29836438 0.85 BRAF (0.36) RAB9ANPC1SYKMETMAP4K1
SCHEMBL21593228 0.84 PORCN (0.41) RAB9ANPC1ROCK2ROCK1CDC42BPB
SCHEMBL21591782 0.83 GSK3B (0.43) METMAP4K1GSK3BKDR
SCHEMBL29836423 0.83 GSK3B (0.43) METMAP4K1GSK3BKDR

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 RAB9A 641/4885NPC1 2839/4885SYK 1140/4885

“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.