SCHEMBL8206793

SCHEMBL8206793

CCOC(=O)N1CCC(NC(=O)c2cccc(C(=O)NCc3ccc(OC)c(OC)c3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
HSD17B10 Q99714 7/20 0.54
ALDH1A1 P00352 8/20 0.52
HPGD P15428 6/20 0.52
LMNA P02545 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
NOD2 Q9HC29 1/20 0.51
USP2 O75604 2/20 0.50
HTT P42858 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 1/20 0.47
P2RY12 Q9H244 1/20 0.47
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47

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
SCHEMBL8206870 0.86 SMN1; SMN2 (0.53) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL8213366 0.84 MAPK1 (0.58) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL8213332 0.84 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL12853206 0.83 MAPT (0.54) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL8212461 0.83 KDM4E (0.60) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL8208090 0.82 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL8208606 0.81 MAPT (0.53) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL8199886 0.80 SMN1; SMN2 (0.49) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL8211077 0.79 KMT2A (0.60) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL8208534 0.79 KDM4E (0.56) KDM4EHSD17B10ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132178-B1 JNK INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-8278337-B2 Substituted pyridines that are JNK inhibitors MERCK SHARP & DOHME (US) 2012-10-02 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
US-20100179141-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-07-15 US disclosed
WO-2008082487-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 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 (1 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-20100179141-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK5, MAPK15 KDM4E 3354/4885HSD17B10 2454/4885ALDH1A1 3650/4885

“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.