SCHEMBL21591782

SCHEMBL21591782

O=C(Nc1cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)ccn1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.43
MET P08581 3/20 0.43
KDR P35968 2/20 0.40
CDK9 P50750 5/20 0.38
CDK1 P06493 2/20 0.38
CDK2 P24941 2/20 0.38
GSK3A P49840 2/20 0.38
CDK3 Q00526 2/20 0.38
CDK5 Q00535 2/20 0.38
CCNT1 O60563 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38
CCNA1 P78396 1/20 0.38
CDK5R1 Q15078 1/20 0.38
TP53BP1 Q12888 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAP4K1 Q92918 1/20 0.36

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
SCHEMBL29836423 1.00 GSK3B (0.43) GSK3BMETKDRCDK9CDK1
SCHEMBL29836417 0.96 GSK3B (0.47) GSK3BMETKDRCDK9CDK1
SCHEMBL21591765 0.96 GSK3B (0.47) GSK3BMETKDRCDK9CDK1
SCHEMBL21591793 0.92 MAPK10 (0.43) GSK3BMAPK14
SCHEMBL29836435 0.92 MAPK10 (0.43) GSK3BMAPK14
SCHEMBL21593200 0.88 MAPK1 (0.39) GSK3BMETKDRCDK9CDK1
SCHEMBL29836475 0.85 HRH3 (0.41) GSK3BMET
SCHEMBL21593249 0.85 HRH3 (0.41) GSK3BMET
SCHEMBL21593250 0.84 BRAF (0.36) GSK3BMETKDRMAP4K1
SCHEMBL29836438 0.84 BRAF (0.36) GSK3BMETKDRMAP4K1

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 GSK3B 84/4885MET 2620/4885KDR 2101/4885

“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.