SCHEMBL13380326

SCHEMBL13380326

COSc1nccc(-c2c(C#N)n(C3CCOCC3)c(=O)n2-c2ccc(F)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.36
MAPK13 O15264 3/20 0.33
MAPK12 P53778 3/20 0.33
MAPK11 Q15759 3/20 0.33
MET P08581 1/20 0.32
SCN9A Q15858 1/20 0.32
PRKDC P78527 2/20 0.31
JAK2 O60674 2/20 0.30
JAK3 P52333 2/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
AOC3 Q16853 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 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
SCHEMBL13376810 0.91 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11SCN9A
SCHEMBL13380385 0.84 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11SCN9A
SCHEMBL13376669 0.82 MAPK14 (0.36) MAPK14MAPK13MAPK12MAPK11MET
SCHEMBL13376808 0.77 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11MET
SCHEMBL13376635 0.77 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL13380339 0.70 TSHR (0.35) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL13376809 0.68 ALDH1A1 (0.43) MAPK14MAPK13MAPK12MAPK11MET
SCHEMBL13376711 0.67 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11AOC3
SCHEMBL13376636 0.63 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11AOC3
SCHEMBL13376606 0.60 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700771-B2 Heterocyclic compound which may be used as a medicine having p38 MAP kinase inhibitory activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-04-20 US disclosed
US-20070185326-A1 antiinflammatory agents; antiarthritic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 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-20070185326-A1 antiinflammatory agents; antiarthritic agents MAPK1, CHUK, MAPK3 MAPK14 4/4885MAPK13 5/4885MAPK12 13/4885

“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.