SCHEMBL8206372

SCHEMBL8206372

CC(C)NC(=O)c1cccc(C(=O)NCc2cnn(-c3ccc4cncnc4c3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
MIF P14174 1/20 0.37
HPGDS O60760 1/20 0.36
PRMT3 O60678 1/20 0.35
POLB P06746 2/20 0.35
IMPDH2 P12268 1/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35
NAMPT P43490 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.34
NOTUM Q6P988 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MMP13 P45452 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NOD2 Q9HC29 1/20 0.34

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
SCHEMBL8205940 0.86 ADRB2 (0.43) ADRB2MIFPOLBROCK2ROCK1
SCHEMBL8209302 0.86 ADRB2 (0.41) ADRB2POLBROCK2ROCK1KLKB1
SCHEMBL12853308 0.83 ADRB2 (0.41) ADRB2MIFPOLBROCK2ROCK1
SCHEMBL8201394 0.83 ADRB2 (0.46) ADRB2MIFPOLBKLKB1KLK1
SCHEMBL8201496 0.83 ADRB2 (0.44) ADRB2KDM4EALDH1A1SUCNR1RAB9A
SCHEMBL8210993 0.82 ADRB2 (0.46) ADRB2POLBKLKB1KLK1KDM4E
SCHEMBL8209034 0.82 ADRB2 (0.47) ADRB2MIFPOLBKLKB1KLK1
SCHEMBL12853327 0.82 ROCK2 (0.47) ADRB2POLBROCK2ROCK1KLKB1
SCHEMBL8205629 0.82 CNR1 (0.43) ADRB2MIFPOLBKLKB1KLK1
SCHEMBL12853254 0.82 HPGD (0.44) ADRB2POLBKLKB1KLK1KDM4E

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 3238/4885MIF 1533/4885HPGDS 1500/4885

“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.