SCHEMBL8206384

SCHEMBL8206384

CC(C)NC(=O)c1cccc(C(=O)NCc2cnn(-c3cncc(N)c3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.41
KLKB1 P03952 3/20 0.41
KLK1 P06870 1/20 0.41
ADRB2 P07550 1/20 0.40
RIPK2 O43353 1/20 0.38
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8206269 0.90 ADRB2 (0.45) KLKB1KLK1ADRB2ROCK2ROCK1
SCHEMBL8213781 0.89 ADRB2 (0.47) KLKB1KLK1ADRB2ROCK2ROCK1
SCHEMBL8209302 0.87 ADRB2 (0.41) KLKB1KLK1ADRB2ROCK2ROCK1
SCHEMBL8206379 0.87 KLKB1 (0.40) IRAK4KLKB1KLK1ADRB2ROCK2
SCHEMBL8206294 0.87 ADRB2 (0.46) KLKB1KLK1ADRB2ROCK2ROCK1
SCHEMBL12853326 0.86 ADRB2 (0.39) KLKB1KLK1ADRB2ROCK2ROCK1
SCHEMBL12853298 0.85 ADRB2 (0.44) KLKB1KLK1ADRB2ROCK2ROCK1
SCHEMBL12853327 0.85 ROCK2 (0.47) KLKB1KLK1ADRB2ROCK2ROCK1
SCHEMBL12853254 0.85 HPGD (0.44) KLKB1KLK1ADRB2CA1CA2
SCHEMBL8201431 0.84 KLKB1 (0.50) KLKB1KLK1ADRB2CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 IRAK4 429/4885KLKB1 1959/4885KLK1 2703/4885

“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.