SCHEMBL8208032

SCHEMBL8208032

CC(C)NC(=O)c1cccc(C(=O)NCc2nccs2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COPS5 Q92905 2/20 0.47
PSMD14 O00487 1/20 0.47
STAMBP O95630 1/20 0.47
GPR88 Q9GZN0 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CNR2 P34972 1/20 0.42
CTSK P43235 1/20 0.42
KCNK3 O14649 2/20 0.42
CHRM4 P08173 1/20 0.41
NAPEPLD Q6IQ20 1/20 0.41
PDE10A Q9Y233 1/20 0.40
NTRK1 P04629 1/20 0.40
HSPA5 P11021 1/20 0.40
HSPA9 P38646 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL15347516 0.81 COPS5 (0.50) COPS5PSMD14STAMBPADORA3ADORA2A
SCHEMBL30076994 0.81 COPS5 (0.50) COPS5PSMD14STAMBPADORA3ADORA2A
SCHEMBL8206290 0.80 ADORA2A (0.55) ADORA2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8209142 0.78 KLKB1 (0.38) ADORA2AADORA2BSMN1; SMN2CNR2HPGD
SCHEMBL8199892 0.76 TSHR (0.56) RAB9ACNR2HPGDL3MBTL1
SCHEMBL24742673 0.76 LMNA (0.46) NPC1RAB9ASMN1; SMN2CNR2LMNA
SCHEMBL8198498 0.76 ALDH1A1 (0.44) HPGDL3MBTL1
SCHEMBL8344379 0.75 COPS5 (0.52) COPS5PSMD14STAMBPNPC1RAB9A
SCHEMBL29333050 0.74 SMN1; SMN2 (0.51) ADORA3ADORA2AADORA2BNPC1RAB9A
SCHEMBL8205735 0.74 HTT (0.61) HPGDLMNA

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 COPS5 110/4885PSMD14 3377/4885STAMBP 4720/4885

“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.