SCHEMBL21593083

SCHEMBL21593083

Cc1ccc(S(=O)(=O)n2cc(I)c3c(Oc4ccc(CNC(=O)OC(C)(C)C)cc4F)ccnc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.35
MET P08581 7/20 0.35
BRD4 O60885 1/20 0.35
NAMPT P43490 4/20 0.34
KDR P35968 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
CARM1 Q86X55 2/20 0.33
PRMT6 Q96LA8 2/20 0.33
EPAS1 Q99814 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 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
SCHEMBL21593156 0.88 NAMPT (0.38) NAMPTPOLBCA12CA1CA2
SCHEMBL23799254 0.87 MEN1 (0.41) METMEN1POLBKMT2A
SCHEMBL23799253 0.87 MEN1 (0.41) METMEN1POLBKMT2A
SCHEMBL21626590 0.87 MEN1 (0.36) AXLMETMEN1POLBKMT2A
SCHEMBL21593064 0.86 MET (0.40) AXLMETBRD4NAMPTKDR
SCHEMBL21593139 0.84 TRIM24 (0.38) AXLMETBRD4KDRMEN1
SCHEMBL21593136 0.84 TRIM24 (0.36) AXLMETBRD4NAMPTKDR
SCHEMBL21593171 0.84 SCD (0.36) AXLMETBRD4KDR
SCHEMBL21593176 0.84 CYP3A4 (0.35) AXLNAMPTEPAS1
SCHEMBL21593135 0.83 TRIM24 (0.36) AXLMETBRD4KDRMEN1

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 2 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 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 AXL 3866/4885MET 2620/4885BRD4 1028/4885

“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.