SCHEMBL8206513

SCHEMBL8206513

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.54
CA1 P00915 10/20 0.54
KMT2A Q03164 1/20 0.45
PTGS2 P35354 3/20 0.43
CA12 O43570 4/20 0.41
CA9 Q16790 4/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40

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
SCHEMBL8209278 0.91 MAPK8 (0.46) CA2CA1MAPK8MAPK9MAPK10
SCHEMBL8213929 0.90 CCR1 (0.44) CA2CA1PTGS2MAPK8MAPK9
SCHEMBL8201497 0.89 CCR1 (0.45) CA2CA1KMT2ATP53MAPK8
SCHEMBL8201431 0.88 KLKB1 (0.50) CA2CA1
SCHEMBL8205629 0.87 CNR1 (0.43) KMT2ATSHR
SCHEMBL12853254 0.87 HPGD (0.44) CA2CA1KMT2A
SCHEMBL8210996 0.86 DHODH (0.44)
SCHEMBL12853327 0.85 ROCK2 (0.47)
SCHEMBL8213788 0.85 ADRB2 (0.39) CA2CA1KMT2AMAPK8MAPK9
SCHEMBL8209109 0.85 CA2 (0.74) CA2CA1KMT2ATP53TSHR

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 CA2 4577/4885CA1 3679/4885KMT2A 4373/4885

“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.