SCHEMBL3900906

SCHEMBL3900906

CC(C)(C)OC(=O)Nc1cc(CC(=O)c2ccccc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.46
CCR2 P41597 2/20 0.45
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
RIOK2 Q9BVS4 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
IGF1R P08069 1/20 0.43
GRIN2B Q13224 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP17A1 P05093 1/20 0.41
GSK3A P49840 1/20 0.41
MAPK10 P53779 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 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
SCHEMBL5761933 0.91 CYP17A1 (0.49) NR3C2CCR2ACACBACACARIOK2
SCHEMBL5202372 0.89 NR3C2 (0.47) NR3C2CCR2RIOK2IGF1RRAB9A
SCHEMBL3890052 0.89 NR3C2 (0.48) NR3C2CCR2RIOK2MEN1KMT2A
SCHEMBL3888179 0.88 NR3C2 (0.46) NR3C2CCR2RIOK2IGF1RRAB9A
SCHEMBL3892526 0.88 CCR2 (0.47) CCR2IGF1RRAB9ANPC1ALDH1A1
SCHEMBL3889244 0.88 GRM5 (0.42) NR3C2CCR2RIOK2MEN1KMT2A
SCHEMBL3902968 0.88 NR3C2 (0.47) NR3C2CCR2RIOK2MEN1KMT2A
SCHEMBL3900938 0.88 CCR2 (0.47) CCR2RIOK2IGF1RGSK3AMAPK10
SCHEMBL3888916 0.88 RIOK2 (0.47) NR3C2CCR2RIOK2MEN1KMT2A
SCHEMBL3892560 0.87 NR3C2 (0.51) NR3C2RIOK2MEN1KMT2AIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
US-7495018-B2 Substituted 1,3-thiazole compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-24 US disclosed
US-7294625-B2 Pyrazole compounds UBE INDUSTRIES, LTD. (JP) 2007-11-13 US disclosed
US-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis UBE INDUSTRIES, LTD. (JP) 2006-03-23 US disclosed
EP-1553096-A1 PYRAZOLE COMPOUNDS Ube Industries, Ltd. (JP) 2005-07-13 EP 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 (4 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 1929/4885CCR2 141/4885ACACB 3170/4885
US-20040053973-A1 Substituted 1,3-thiazole compounds, their production and use MAPK1, MAP4K2, MAPK4 NR3C2 1086/4885CCR2 792/4885ACACB 3437/4885
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis CNKSR1, MAPK1, MAPK3 NR3C2 480/4885CCR2 140/4885ACACB 4224/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 NR3C2 683/4885CCR2 853/4885ACACB 3655/4885

“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.