SCHEMBL8201048

SCHEMBL8201048

CC(C)NC(=O)c1cccc(C(=O)NCC2CCN(c3ccc(C#N)cc3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.47
ACACB O00763 2/20 0.47
F10 P00742 2/20 0.46
PRKAA2 P54646 1/20 0.46
CETP P11597 4/20 0.45
HSD11B1 P28845 2/20 0.44
CHRM4 P08173 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL12853613 0.91 USP30 (0.51) USP30ACACBF10CETPCHRM4
SCHEMBL8208875 0.85 LMNA (0.48) ACACBF10HSD11B1ALDH1A1LMNA
SCHEMBL8208874 0.82 PDGFRB (0.43) USP30ACACBF10ALDH1A1LMNA
SCHEMBL8208262 0.79 CHRM4 (0.47) CHRM4ALDH1A1LMNAPOLBHPGD
SCHEMBL8206262 0.75 KDM4E (0.64)
SCHEMBL12853369 0.73 XDH (0.49) PRKAA2ALDH1A1HPGD
SCHEMBL12853293 0.73 KCNJ1 (0.43) ACACBPRKAA2
SCHEMBL8198448 0.72 KDM4E (0.56)
SCHEMBL12853361 0.70 ROCK2 (0.49) CTSSCTSK
SCHEMBL17011998 0.69 LMNA (0.46) F10HSD11B1ALDH1A1LMNAPOLB

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
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 USP30 2887/4885ACACB 2612/4885F10 3465/4885

“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.