SCHEMBL2394513

SCHEMBL2394513

CC(C)(C)OC(=O)N1CCN(Cc2cn(CC3(CO[Si](C)(C)C(C)(C)C)CCC3)c(=O)c3ccc(Br)cc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
BACE1 P56817 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
PLA2G7 Q13093 1/20 0.36
MGLL Q99685 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
PARP1 P09874 1/20 0.35
KRAS P01116 1/20 0.34
CCNC P24863 1/20 0.34

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
SCHEMBL1724433 0.92 KDM4E (0.34) PLA2G7MGLLABHD6POLB
SCHEMBL2394029 0.82 TGM2 (0.36) BACE1KRAS
SCHEMBL2396409 0.79 MAPK14 (0.40)
SCHEMBL21571746 0.72 MGLL (0.46) VEGFAEGLN1BACE1CA12CA1
SCHEMBL2393185 0.71 HTR6 (0.46) VEGFAEGLN1CA12CA1CA2
SCHEMBL2393801 0.70 MEN1 (0.44) VEGFAEGLN1BACE1CA12CA1
SCHEMBL1710713 0.70 MAPK8 (0.32)
SCHEMBL19252873 0.70 CA12 (0.47) VEGFAEGLN1BACE1CA12CA1
SCHEMBL19252885 0.70 VEGFA (0.46) VEGFAEGLN1BACE1CA12CA1
SCHEMBL2393948 0.70 KDM4E (0.34)

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-8012980-B2 Isoquinolinone derivatives ASTRAZENECA AB (SE) 2011-09-06 US disclosed
US-20100099665-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-22 US 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-20100099665-A1 ISOQUINOLINONE DERIVATIVES SDHA, NQO1, CYP3A5 VEGFA 4383/4885EGLN1 1664/4885BACE1 1161/4885

“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.