SCHEMBL8201413

SCHEMBL8201413

CC(C)NC(=O)c1cccc(C(=O)NCc2cccc(Oc3ccccn3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 2/20 0.46
LOXL2 Q9Y4K0 2/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
JAK3 P52333 1/20 0.45
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
S1PR3 Q99500 1/20 0.44
MMP13 P45452 3/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
PTGES O14684 1/20 0.43
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
WDR5 P61964 1/20 0.42
ALDH1A1 P00352 1/20 0.42
FFAR1 O14842 1/20 0.42
CYP3A4 P08684 1/20 0.41

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 0.78 ROCK2 (0.53) ROCK2ROCK1MMP13HPGDPTGES
SCHEMBL9707275 0.78 LOXL2 (0.52) LOXLOXL2KMT2AHPGDKDM4E
SCHEMBL8206290 0.78 ADORA2A (0.55) KMT2AHPGDMEN1HSD17B10ALDH1A1
SCHEMBL8205783 0.77 MEN1 (0.52) ROCK2ROCK1KMT2AHPGDMEN1
SCHEMBL12853358 0.77 HPGD (0.53) ROCK2ROCK1MMP13HPGDPTGES
SCHEMBL8198970 0.77 ROCK2 (0.48) ROCK2ROCK1MMP13KMT2AHPGD
SCHEMBL8205735 0.74 HTT (0.61) MMP13KMT2AHPGDHTTMEN1
SCHEMBL8211821 0.73 ROCK2 (0.47) ROCK2ROCK1MMP13HPGDWDR5
SCHEMBL8200906 0.73 HPGD (0.54) ROCK2ROCK1MMP13HPGDALDH1A1
SCHEMBL29333050 0.73 SMN1; SMN2 (0.51) MMP13KMT2AHPGDMEN1KDM4E

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 LOX 1548/4885LOXL2 2447/4885JAK2 472/4885

“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.