SCHEMBL8210993

SCHEMBL8210993

CC(C)NC(=O)c1cccc(C(=O)NCc2cnn(-c3cccc(Cl)c3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
KDM4E B2RXH2 2/20 0.43
GCGR P47871 1/20 0.41
KLKB1 P03952 2/20 0.41
KLK1 P06870 1/20 0.41
PRMT5 O14744 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
CNR2 P34972 1/20 0.39
NPC1 O15118 1/20 0.38
HDAC1 Q13547 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
SCHEMBL12853294 0.93 KDM4E (0.44) ADRB2KDM4EKLKB1KLK1POLB
SCHEMBL8210996 0.91 DHODH (0.44) ADRB2KDM4EGCGRKLKB1KLK1
SCHEMBL8209034 0.90 ADRB2 (0.47) ADRB2KDM4EGCGRKLKB1KLK1
SCHEMBL12853254 0.90 HPGD (0.44) ADRB2KDM4EKLKB1KLK1POLB
SCHEMBL8209103 0.90 ADRB2 (0.44) ADRB2KDM4EKLKB1KLK1POLB
SCHEMBL8206269 0.89 ADRB2 (0.45) ADRB2KDM4EKLKB1KLK1POLB
SCHEMBL8211521 0.89 ADRB2 (0.57) ADRB2KDM4EKLKB1KLK1POLB
SCHEMBL17011995 0.88 ADRB2 (0.46) ADRB2KDM4EKLKB1KLK1POLB
SCHEMBL12853289 0.87 KCNJ1 (0.46) ADRB2KDM4EKLKB1POLBALDH1A1
SCHEMBL12853297 0.87 DDT (0.53) ADRB2CNR2NPC1

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 ADRB2 3238/4885KDM4E 3354/4885GCGR 1796/4885

“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.