SCHEMBL605349

SCHEMBL605349

Cc1cc(-c2nnc(CNC(=O)c3cc(Cc4c(F)cc(F)cc4F)c[nH]3)s2)[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPK7 Q13164 3/20 0.33
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRM4 P08173 1/20 0.30
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL607684 0.85 HDAC6 (0.39) MAPK14HDAC6MAPK7ROCK2ROCK1
SCHEMBL299039 0.85 MAPK14 (0.43) MAPK14MAPK7HTTALDH1A1
SCHEMBL299928 0.79 MAPK14 (0.40) MAPK14HDAC6MAPK7HTTALDH1A1
SCHEMBL299876 0.78 HDAC6 (0.38) MAPK14HDAC6MAPK7ROCK2ROCK1
SCHEMBL606306 0.75 MAPK14 (0.42) MAPK14MAPK7HTT
SCHEMBL297906 0.75 MAPK14 (0.41) MAPK14MAPK7HTT
SCHEMBL13075042 0.73 MAPK14 (0.41) MAPK14MAPK7HTTALDH1A1
SCHEMBL607759 0.73 MAPK14 (0.42) MAPK14MAPK7HTT
SCHEMBL607176 0.70 MAPK14 (0.48) MAPK14MAPK7HTT
SCHEMBL606459 0.69 MAPK14 (0.52) MAPK14MAPK7HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513289-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
US-8513289-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
US-8513289-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 US disclosed
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 US disclosed
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 US disclosed
WO-2010129208-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME CORP. (US) 2010-11-11 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-20120040999-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 MAPK14 13/4885HDAC6 672/4885MAPK7 4/4885

“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.