SCHEMBL8205783

SCHEMBL8205783

CC(C)NC(=O)c1cccc(C(=O)NCc2cccc(Cl)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
HCRTR1 O43613 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.51
APEX1 P27695 1/20 0.51
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2B P29275 1/20 0.49
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
MAOB P27338 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 2/20 0.47
SLC2A1 P11166 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL8198502 0.87 SMN1; SMN2 (0.53) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8198970 0.85 ROCK2 (0.48) MEN1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL12853358 0.85 HPGD (0.53) NPC1ROCK2ROCK1ALDH1A1HPGD
SCHEMBL8209272 0.84 ROCK2 (0.53) ROCK2ROCK1ALDH1A1HPGD
SCHEMBL8209069 0.83 CNR2 (0.47) MEN1KMT2AADORA2AADORA1
SCHEMBL8210993 0.83 ADRB2 (0.46) NPC1ADORA2AADORA1ALDH1A1POLB
SCHEMBL17012016 0.82 POLB (0.45) MEN1HCRTR1KMT2ANPC1APEX1
SCHEMBL8211821 0.81 ROCK2 (0.47) ROCK2ROCK1ALDH1A1HPGD
SCHEMBL29333050 0.81 SMN1; SMN2 (0.51) MEN1KMT2ANPC1ADORA2AADORA1
SCHEMBL8208507 0.81 KMT2A (0.65) MEN1KMT2AAPEX1ALDH1A1LMNA

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 MEN1 3562/4885HCRTR1 3132/4885KMT2A 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.