SCHEMBL1710652

SCHEMBL1710652

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cn(CC3CC3)c(=O)c3ccc(Br)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.43
TGM2 P21980 8/20 0.41
F13A1 P00488 7/20 0.41
TGM1 P22735 5/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
TGM3 Q08188 1/20 0.41
KRAS P01116 1/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 1/20 0.40
USP7 Q93009 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL12259618 0.97 FPR2 (0.41) FPR2TGM2F13A1TGM1ALDH1A1
SCHEMBL1722727 0.87 ALDH1A1 (0.42) ALDH1A1TSHRMAPTLMNAMEN1
SCHEMBL12259612 0.85 DRD2 (0.42) MAPTEPHX2LMNA
SCHEMBL12259613 0.84 JAK2 (0.39) FPR2ALDH1A1TSHRMAPTLMNA
SCHEMBL2395625 0.83 ALDH1A1 (0.40) ALDH1A1TSHRMAPTEPHX2LMNA
SCHEMBL2392681 0.79 MAPT (0.41) ALDH1A1TSHRMAPTLMNAMEN1
SCHEMBL2393024 0.79 MAPT (0.43) ALDH1A1TSHRMAPTEPHX2LMNA
SCHEMBL2392677 0.79 MAPT (0.43) ALDH1A1TSHRMAPTEPHX2LMNA
SCHEMBL2390183 0.78 TGM2 (0.36) TGM2F13A1TGM1TGM3KRAS
SCHEMBL2394029 0.77 TGM2 (0.36) TGM2F13A1TGM1TGM3KRAS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012980-B2 Isoquinolinone derivatives ASTRAZENECA AB (SE) 2011-09-06 US disclosed
EP-2344472-A1 ISOQUINOLINONE DERIVATIVES AstraZeneca AB (SE) 2011-07-20 EP disclosed
US-20100099665-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-22 US disclosed
WO-2010039079-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-08 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-20100099665-A1 ISOQUINOLINONE DERIVATIVES SDHA, NQO1, CYP3A5 FPR2 1636/4885TGM2 1801/4885F13A1 3933/4885

“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.