SCHEMBL8212427

SCHEMBL8212427

CC(C)NC(=O)c1cccc(C(=O)NCc2ccc(-c3cc(Cl)cc(Cl)c3)nc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HTR1A P08908 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 3/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
AVPR1B P47901 2/20 0.39
ADAM17 P78536 1/20 0.39
HTT P42858 1/20 0.38
HPGDS O60760 1/20 0.38

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
SCHEMBL8209069 0.93 CNR2 (0.47) MEN1KMT2ACNR1CNR2AVPR1B
SCHEMBL8205711 0.91 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AMAPK8MAPK9
SCHEMBL8206189 0.88 CNR2 (0.52) MAPK8MAPK9CNR1CNR2AVPR1B
SCHEMBL8206930 0.86 MMP13 (0.46) SMN1; SMN2MAPK8MAPK9CNR1ROCK2
SCHEMBL8198357 0.85 CNR1 (0.52) SMN1; SMN2MAPK8MAPK9CNR1ROCK1
SCHEMBL8199927 0.85 CNR2 (0.50) SMN1; SMN2CNR1CNR2HPGDS
SCHEMBL8198360 0.85 ECE1 (0.46) MAPK8MAPK9ROCK2ROCK1HPGDS
SCHEMBL8205692 0.84 MAPK8 (0.47) SMN1; SMN2MAPK8MAPK9CNR1ROCK2
SCHEMBL8205751 0.84 L3MBTL1 (0.47) SMN1; SMN2MEN1KMT2AMAPK8MAPK9
SCHEMBL12855286 0.84 CNR2 (0.40) SMN1; SMN2MAPK8MAPK9CNR1CNR2

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 SMN1; SMN2 2858/4885MEN1 3562/4885KMT2A 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.