SCHEMBL21591750

SCHEMBL21591750

Clc1cncc(NCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
KCNH2 Q12809 1/20 0.47
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
KDR P35968 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43

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
SCHEMBL8546536 0.80 HPGD (0.58) KDM4ELMNAMAPTMAPK1MEN1
SCHEMBL13743125 0.79 KCNH2 (0.56) LTA4HKCNH2HTTKDRALDH1A1
SCHEMBL2064845 0.79 SMN1; SMN2 (0.54) LTA4HKCNH2LMNAMEN1HPGD
SCHEMBL6772345 0.79 KCNH2 (0.56) LTA4HKCNH2LMNAMAPTMEN1
SCHEMBL1134529 0.78 SMN1; SMN2 (0.52) LTA4HKCNH2LMNAMEN1HPGD
SCHEMBL2043293 0.78 HPGD (0.56) KDM4ELMNAMAPTMEN1HPGD
SCHEMBL631634 0.77 LMNA (0.59) KDM4ELMNAMAPTMAPK1MEN1
SCHEMBL8750729 0.76 CYP1A2 (0.48) LTA4HKCNH2KDM4ELMNAMAPK1
SCHEMBL31015546 0.76 KDM4E (0.48) LTA4HKCNH2KDM4EMAPTMAPK1
SCHEMBL4932096 0.76 KCNH2 (0.53) LTA4HKCNH2MAPK1KDR

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 6 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 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
EP-3807273-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2021-04-21 EP disclosed
WO-2019238628-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2019-12-19 WO 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 LTA4H 655/4885KCNH2 2539/4885KDM4E 469/4885

“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.