SCHEMBL12853261

SCHEMBL12853261

CC(C)NC(=O)c1cccc(C(=O)NCc2nc3ccccc3n2C)n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
RECQL P46063 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 4/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.47
HDAC6 Q9UBN7 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
SCHEMBL12862985 0.77 RECQL (0.78) MAPTRECQLMEN1KMT2ALMNA
SCHEMBL8209007 0.77 MEN1 (0.41) MAPTRECQLMEN1KMT2ALMNA
SCHEMBL8209006 0.77 KLKB1 (0.45) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL2937868 0.77 MAPT (0.72) MAPTRECQLMEN1KMT2ALMNA
SCHEMBL13649464 0.77 MAPT (0.72) MAPTRECQLMEN1KMT2ALMNA
SCHEMBL8199892 0.77 TSHR (0.56) MAPTRECQLMEN1KMT2AALDH1A1
SCHEMBL13211952 0.76 MEN1 (0.70) MAPTRECQLMEN1KMT2ALMNA
SCHEMBL31124209 0.75 MAPT (0.66) MAPTRECQLMEN1KMT2ALMNA
SCHEMBL8401361 0.75 MAPT (0.69) MAPTRECQLMEN1KMT2ALMNA
SCHEMBL14817959 0.75 MAPT (0.62) MAPTRECQLMEN1KMT2ALMNA

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
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

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 MAPT 3158/4885RECQL 4514/4885MEN1 3562/4885

“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.