SCHEMBL8212461

SCHEMBL8212461

CCNC(=O)c1cccc(C(=O)NC2CCN(C(=O)OCC)CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
HSD17B10 Q99714 3/20 0.60
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 2/20 0.54
CHRM2 P08172 4/20 0.54
CHRM5 P08912 4/20 0.54
CHRM3 P20309 3/20 0.54
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD2 P14416 1/20 0.53
P2RY12 Q9H244 1/20 0.52
RAB9A P51151 1/20 0.52
NOS2 P35228 1/20 0.51
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL8208090 0.92 KDM4E (0.59) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL8208534 0.89 KDM4E (0.56) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL8211077 0.87 KMT2A (0.60) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL8206868 0.87 KDM4E (0.58) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL8213332 0.87 KDM4E (0.53) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL12855299 0.86 KDM4E (0.60) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL8201484 0.86 KDM4E (0.57) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL17012010 0.84 KDM4E (0.58) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL8208762 0.84 KDM4E (0.57) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL12853206 0.83 MAPT (0.54) KDM4EHSD17B10KMT2AMEN1ALDH1A1

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 2454/4885KMT2A 4373/4885

“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.