SCHEMBL2393801

SCHEMBL2393801

CC(C)(C)OC(=O)N1CCN(Cc2c[nH]c(=O)c3ccc(Br)cc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
VEGFA P15692 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
PLA2G7 Q13093 1/20 0.43
MGLL Q99685 1/20 0.43
ABHD6 Q9BV23 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ADAM17 P78536 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41

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
SCHEMBL2522939 0.85 MEN1 (0.39) MEN1KMT2A
SCHEMBL1710580 0.84 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL27845288 0.84 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2391300 0.80 TGM2 (0.45) MEN1KMT2AKDM4EMAPTBACE1
SCHEMBL15093922 0.78 MGLL (0.51) MEN1KMT2AVEGFAEGLN1PLA2G7
SCHEMBL21571768 0.78 PLA2G7 (0.51) MEN1KMT2AVEGFAEGLN1PLA2G7
Tert-Butyl Formate SCHEMBL27845289 0.78 KMT2A (0.38) MEN1KMT2ACHRM2KDM4ELMNA
SCHEMBL2394793 0.77 TGM2 (0.44) MEN1KMT2AGAABACE1
SCHEMBL2234786 0.77 ALDH1A1 (0.54) MEN1KMT2AVEGFAEGLN1PLA2G7
SCHEMBL19252873 0.77 CA12 (0.47) MEN1KMT2AVEGFAEGLN1PLA2G7

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 MEN1 3451/4885KMT2A 2104/4885VEGFA 4383/4885

“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.