SCHEMBL2394793

SCHEMBL2394793

CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)c2c[nH]c(=O)c3ccc(Br)cc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 13/20 0.44
F13A1 P00488 10/20 0.44
TGM1 P22735 7/20 0.44
TGM3 Q08188 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.39
EPHX2 P34913 1/20 0.39
BACE1 P56817 1/20 0.38

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
SCHEMBL2391300 0.96 TGM2 (0.45) TGM2F13A1TGM1TGM3MEN1
SCHEMBL1710700 0.86 KMT2A (0.40) MEN1KMT2AGAAEPHX2
SCHEMBL1710318 0.81 PKM (0.43) MEN1KMT2AGAAEPHX2
SCHEMBL14490213 0.81 TGM2 (0.59) TGM2F13A1TGM1TGM3MEN1
SCHEMBL14490211 0.81 TGM2 (0.61) TGM2F13A1TGM1TGM3MEN1
SCHEMBL2398197 0.79 NR1H2 (0.38)
SCHEMBL12259605 0.78 EPHX2 (0.45) EPHX2
SCHEMBL14490210 0.78 TGM2 (0.59) TGM2F13A1TGM1
SCHEMBL12259618 0.78 FPR2 (0.41) TGM2F13A1TGM1TGM3MEN1
SCHEMBL12259606 0.77 JAK2 (0.40) GAAEPHX2

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 TGM2 1801/4885F13A1 3933/4885TGM1 1083/4885

“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.