SCHEMBL3900938

SCHEMBL3900938

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.47
GRM5 P41594 4/20 0.42
CYP2C9 P11712 1/20 0.41
PTGER1 P34995 1/20 0.41
GSK3A P49840 1/20 0.41
MAPK10 P53779 1/20 0.41
RIOK2 Q9BVS4 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
CTSL P07711 1/20 0.40
IGF1R P08069 1/20 0.40
ATR Q13535 1/20 0.40
P2RX3 P56373 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CDK1 P06493 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
BRAF P15056 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 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
SCHEMBL3890052 0.88 NR3C2 (0.48) CCR2GSK3AMAPK10RIOK2ANO1
SCHEMBL3892526 0.88 CCR2 (0.47) CCR2CYP2C9PTGER1IGF1RATR
SCHEMBL3900906 0.88 NR3C2 (0.46) CCR2GSK3AMAPK10RIOK2IGF1R
SCHEMBL3902968 0.87 NR3C2 (0.47) CCR2RIOK2ANO1IGF1R
SCHEMBL3888916 0.87 RIOK2 (0.47) CCR2RIOK2IGF1RBRAF
SCHEMBL3889244 0.87 GRM5 (0.42) CCR2GRM5RIOK2IGF1R
SCHEMBL5201420 0.86 NR3C2 (0.52) GSK3AMAPK10RIOK2
SCHEMBL3890091 0.85 NR3C2 (0.51) RIOK2IGF1RBRAF
SCHEMBL3887623 0.85 NR3C2 (0.43) CCR2RIOK2IGF1RIRAK4
SCHEMBL5202179 0.85 NR3C2 (0.44) CCR2GSK3AMAPK10RIOK2IGF1R

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 9 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
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 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 (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 CCR2 141/4885GRM5 993/4885CYP2C9 4802/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 CCR2 792/4885GRM5 2327/4885CYP2C9 2743/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 CCR2 853/4885GRM5 2229/4885CYP2C9 1655/4885

“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.