SCHEMBL8211564

SCHEMBL8211564

CC(C)NC(=O)c1cccc(C(=O)NCc2cnn(-c3ccc4ncn(C)c4c3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
POLB P06746 2/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MIF P14174 1/20 0.35
IDO1 P14902 4/20 0.35
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPK1 P28482 1/20 0.34
NOTUM Q6P988 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNJ1 P48048 2/20 0.33
RAB9A P51151 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
SCHEMBL8206437 0.86 ADRB2 (0.41) ADRB2POLBMIFKLKB1KLK1
SCHEMBL8205940 0.86 ADRB2 (0.43) ADRB2POLBMIFKLKB1KLK1
SCHEMBL12853419 0.85 ADRB2 (0.39) ADRB2POLBMIFKLKB1KLK1
SCHEMBL8201496 0.84 ADRB2 (0.44) ADRB2ALDH1A1KDM4EMAPTMAPK1
SCHEMBL17012020 0.84 ADRB2 (0.40) ADRB2POLBMIFKLKB1KLK1
SCHEMBL8198824 0.84 ADRB2 (0.41) ADRB2POLBMIFKLKB1KLK1
SCHEMBL12853417 0.83 ADRB2 (0.39) ADRB2ALDH1A1KDM4EMAPTRXFP1
SCHEMBL8201394 0.82 ADRB2 (0.46) ADRB2POLBMIFKLKB1KLK1
SCHEMBL8206372 0.82 ADRB2 (0.42) ADRB2POLBMIFKLKB1KLK1
SCHEMBL8210993 0.82 ADRB2 (0.46) ADRB2POLBADORA2AADORA1KLKB1

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 3238/4885POLB 4488/4885ADORA2A 4718/4885

“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.