SCHEMBL5202372

SCHEMBL5202372

Cc1ccc(C(=O)Cc2ccnc(NC(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.47
IGF1R P08069 1/20 0.42
PKM P14618 2/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP17A1 P05093 1/20 0.40
CCR2 P41597 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
MAPK10 P53779 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK14 Q16539 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RIOK2 Q9BVS4 3/20 0.39
MAPK8 P45983 1/20 0.39
GSK3A P49840 1/20 0.39
HIPK1 Q86Z02 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
SCHEMBL3894787 0.91 IGF1R (0.42) NR3C2IGF1RPKMNPC1RAB9A
SCHEMBL3888179 0.90 NR3C2 (0.46) NR3C2IGF1RNPC1RAB9ASMN1; SMN2
SCHEMBL3892526 0.90 CCR2 (0.47) IGF1RPKMNPC1RAB9ASMN1; SMN2
SCHEMBL5761933 0.89 CYP17A1 (0.49) NR3C2IGF1RCYP17A1CCR2LOXL2
SCHEMBL3900906 0.89 NR3C2 (0.46) NR3C2IGF1RNPC1RAB9ACYP17A1
SCHEMBL3892560 0.89 NR3C2 (0.51) NR3C2IGF1RPKMNPC1RAB9A
SCHEMBL3890118 0.88 NR3C2 (0.42) NR3C2IGF1RNPC1RAB9ACYP17A1
SCHEMBL3887366 0.88 IGF1R (0.47) NR3C2IGF1RNPC1RAB9ASMN1; SMN2
SCHEMBL3890052 0.88 NR3C2 (0.48) NR3C2IGF1RNPC1RAB9ASMN1; SMN2
SCHEMBL3888502 0.86 IGF1R (0.42) NR3C2IGF1RCYP17A1CCR2LOXL2

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 1929/4885IGF1R 3974/4885PKM 2956/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 NR3C2 683/4885IGF1R 871/4885PKM 1287/4885

“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.