SCHEMBL12853293

SCHEMBL12853293

CC(C)NC(=O)c1cccc(C(=O)NCc2cnn(-c3ccc(C#N)cc3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.43
SCN9A Q15858 5/20 0.40
PRKAA2 P54646 1/20 0.39
ADRB2 P07550 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
ROS1 P08922 1/20 0.39
ALK Q9UM73 1/20 0.39
XDH P47989 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
ACACB O00763 1/20 0.38
KLKB1 P03952 2/20 0.38
KLK1 P06870 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CTSA P10619 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL12853289 0.91 KCNJ1 (0.46) KCNJ1SCN9AADRB2MAPK8MAPK9
SCHEMBL12853326 0.89 ADRB2 (0.39) KCNJ1SCN9AADRB2EGLN2ROS1
SCHEMBL8205629 0.88 CNR1 (0.43) ADRB2KLKB1KLK1MEN1KMT2A
SCHEMBL12853254 0.88 HPGD (0.44) ADRB2ACACBKLKB1KLK1MEN1
SCHEMBL12853329 0.87 ADRB2 (0.45) KCNJ1SCN9AADRB2ROS1ALK
SCHEMBL12853315 0.87 ADRB2 (0.38) KCNJ1SCN9AADRB2EGLN2ROS1
SCHEMBL8210996 0.87 DHODH (0.44) ADRB2KLKB1KLK1
SCHEMBL8201431 0.87 KLKB1 (0.50) ADRB2KLKB1KLK1
SCHEMBL12853327 0.86 ROCK2 (0.47) ADRB2KLKB1KLK1
SCHEMBL8209278 0.85 MAPK8 (0.46) ADRB2MAPK8MAPK9MAPK10

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 5 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

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 KCNJ1 3705/4885SCN9A 4323/4885PRKAA2 1337/4885

“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.