SCHEMBL8206380

SCHEMBL8206380

CCOC(=O)N1CCC(NC(=O)c2cccc(NCCc3ccncc3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
HSD17B10 Q99714 4/20 0.51
NOS2 P35228 2/20 0.50
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
CCR8 P51685 1/20 0.45
RAB9A P51151 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43

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
SCHEMBL8213332 0.84 KDM4E (0.53) KDM4EHSD17B10NOS2ALDH1A1MEN1
SCHEMBL8206400 0.84 ALDH1A1 (0.56) KDM4EHSD17B10NOS2ALDH1A1MEN1
SCHEMBL8213809 0.83 KDM4E (0.51) KDM4EHSD17B10NOS2ALDH1A1MEN1
SCHEMBL17012010 0.82 KDM4E (0.58) KDM4EHSD17B10NOS2ALDH1A1MEN1
SCHEMBL8201484 0.81 KDM4E (0.57) KDM4EHSD17B10NOS2ALDH1A1MEN1
SCHEMBL8208762 0.81 KDM4E (0.57) KDM4EHSD17B10NOS2ALDH1A1MEN1
SCHEMBL8211077 0.81 KMT2A (0.60) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL12853598 0.80 NOS2 (0.67) KDM4EHSD17B10NOS2ALDH1A1MEN1
SCHEMBL8209187 0.80 KDM4E (0.51) KDM4EHSD17B10NOS2ALDH1A1MEN1
SCHEMBL12853586 0.80 ALDH1A1 (0.51) KDM4EHSD17B10NOS2ALDH1A1MEN1

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 2454/4885NOS2 1848/4885

“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.