SCHEMBL3889244

SCHEMBL3889244

CC(C)(C)OC(=O)Nc1cc(CC(=O)c2cccc(Br)c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.42
RIOK2 Q9BVS4 2/20 0.41
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
IGF1R P08069 1/20 0.40
CCR2 P41597 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
EGFR P00533 1/20 0.39
RAF1 P04049 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39
MAP2K1 Q02750 1/20 0.39
AURKB Q96GD4 1/20 0.39
NR3C2 P08235 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 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
SCHEMBL3888916 0.89 RIOK2 (0.47) RIOK2IGF1RCCR2MEN1KMT2A
SCHEMBL3890052 0.88 NR3C2 (0.48) RIOK2IGF1RCCR2MEN1KMT2A
SCHEMBL3900906 0.88 NR3C2 (0.46) RIOK2IGF1RCCR2MEN1KMT2A
SCHEMBL3887623 0.88 NR3C2 (0.43) RIOK2IGF1RCCR2MEN1KMT2A
SCHEMBL3900938 0.87 CCR2 (0.47) GRM5RIOK2IGF1RCCR2
SCHEMBL3902968 0.87 NR3C2 (0.47) RIOK2CTSSCTSKIGF1RCCR2
SCHEMBL5201420 0.86 NR3C2 (0.52) RIOK2MEN1KMT2ANPC1NR3C2
SCHEMBL3890091 0.85 NR3C2 (0.51) RIOK2IGF1RNPC1NR3C2RAB9A
SCHEMBL5202179 0.85 NR3C2 (0.44) RIOK2IGF1RCCR2KDRNR3C2
SCHEMBL5761933 0.83 CYP17A1 (0.49) RIOK2IGF1RCCR2NR3C2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 US disclosed
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
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US 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 (3 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 GRM5 993/4885RIOK2 1284/4885CTSB 136/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 GRM5 2327/4885RIOK2 259/4885CTSB 4556/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 GRM5 2229/4885RIOK2 673/4885CTSB 3327/4885

“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.