SCHEMBL5201420

SCHEMBL5201420

COc1cccc(C(=O)Cc2ccnc(NC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.52
RIOK2 Q9BVS4 3/20 0.46
MAPK10 P53779 2/20 0.46
GSK3A P49840 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LOX P28300 2/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
NTRK1 P04629 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40

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
SCHEMBL3892560 0.88 NR3C2 (0.51) NR3C2RIOK2MAPK10GSK3ASMN1; SMN2
SCHEMBL3890052 0.87 NR3C2 (0.48) NR3C2RIOK2MAPK10GSK3ASMN1; SMN2
SCHEMBL3900906 0.87 NR3C2 (0.46) NR3C2RIOK2MAPK10GSK3ANPC1
SCHEMBL3889244 0.86 GRM5 (0.42) NR3C2RIOK2NPC1RAB9AALDH1A1
SCHEMBL3888916 0.86 RIOK2 (0.47) NR3C2RIOK2MEN1KMT2A
SCHEMBL3900938 0.86 CCR2 (0.47) RIOK2MAPK10GSK3A
SCHEMBL3902968 0.86 NR3C2 (0.47) NR3C2RIOK2SMN1; SMN2NPC1RAB9A
SCHEMBL5202179 0.84 NR3C2 (0.44) NR3C2RIOK2MAPK10GSK3A
SCHEMBL3887623 0.84 NR3C2 (0.43) NR3C2RIOK2MEN1KMT2A
SCHEMBL3890091 0.84 NR3C2 (0.51) NR3C2RIOK2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 EP 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 (2 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 NR3C2 1929/4885RIOK2 1284/4885MAPK10 26/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 NR3C2 683/4885RIOK2 673/4885MAPK10 40/4885

“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.