SCHEMBL8200906

SCHEMBL8200906

CC(C)NC(=O)c1cccc(C(=O)NCc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
ALDH1A1 P00352 2/20 0.54
PDE2A O00408 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
EPHX2 P34913 2/20 0.50
NR1H4 Q96RI1 2/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL8209272 0.90 ROCK2 (0.53) HPGDALDH1A1ROCK2ROCK1SMN1; SMN2
SCHEMBL8207782 0.90 CA1 (0.49) HPGDALDH1A1PDE2ANPC1RAB9A
SCHEMBL8207800 0.88 ROCK2 (0.47) HPGDALDH1A1PDE2ACA1CA2
SCHEMBL12853369 0.87 XDH (0.49) HPGDALDH1A1CA1CA2EPHX2
SCHEMBL8207563 0.87 MAPK8 (0.56) CA1CA2EPHX2NR1H4
SCHEMBL29333050 0.87 SMN1; SMN2 (0.51) HPGDALDH1A1NPC1RAB9ACA1
SCHEMBL8198502 0.86 SMN1; SMN2 (0.53) HPGDALDH1A1RAB9ACA1CA2
SCHEMBL12853366 0.85 CTSA (0.46) PDE2AROCK2ROCK1MMP13MMP12
SCHEMBL12853363 0.85 MAPK8 (0.52) ALDH1A1CA1CA2ROCK2ROCK1
SCHEMBL8212242 0.83 ROCK2 (0.52) HPGDALDH1A1CA1CA2ROCK2

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 HPGD 2369/4885ALDH1A1 3650/4885PDE2A 2905/4885

“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.