SCHEMBL8208738

SCHEMBL8208738

CC(C)NC(=O)c1cc(O)cc(C(=O)NCc2cnn(-c3ccc4nccnc4c3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
MAPK1 P28482 1/20 0.35
MIF P14174 1/20 0.34
KLKB1 P03952 1/20 0.34
KLK1 P06870 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
DHODH Q02127 1/20 0.34
POLB P06746 4/20 0.34
SUCNR1 Q9BXA5 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
NOTUM Q6P988 1/20 0.33
MAPT P10636 1/20 0.33

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 0.92 ADRB2 (0.43) ADRB2MAPK1MIFKLKB1KLK1
SCHEMBL12853626 0.89 ADRB2 (0.39) ADRB2MAPK1MIFKLKB1KLK1
SCHEMBL8205818 0.83 ADRB2 (0.42) ADRB2KLKB1KLK1ALDH1A1KDM4E
SCHEMBL8201496 0.83 ADRB2 (0.44) ADRB2MAPK1ALDH1A1KDM4ERAB9A
SCHEMBL8206372 0.79 ADRB2 (0.42) ADRB2MIFKLKB1KLK1ALDH1A1
SCHEMBL8211814 0.78 NOTUM (0.42) ADRB2MAPK1KLKB1ALDH1A1KDM4E
SCHEMBL8211564 0.78 ADRB2 (0.41) ADRB2MAPK1MIFKLKB1KLK1
SCHEMBL12853308 0.78 ADRB2 (0.41) ADRB2MIFKLKB1KLK1ALDH1A1
SCHEMBL8201394 0.78 ADRB2 (0.46) ADRB2MIFKLKB1KLK1ALDH1A1
SCHEMBL17011995 0.77 ADRB2 (0.46) ADRB2MAPK1KLKB1KLK1ALDH1A1

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 3238/4885MAPK1 1/4885MIF 1533/4885

“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.