SCHEMBL6004439

SCHEMBL6004439

CC(C)NC(=O)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C2CCN(S(C)(=O)=O)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 13/20 0.49
MAPK14 Q16539 13/20 0.49
KCNH2 Q12809 1/20 0.47
ENPP2 Q13822 1/20 0.37
ACKR3 P25106 1/20 0.36
PLD1 Q13393 1/20 0.36
MAPK1 P28482 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
SCN9A Q15858 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
SCHEMBL4827940 0.89 MAPK11 (0.61) MAPK11MAPK14KCNH2ACKR3PLD1
Isopropylamine SCHEMBL4827262 0.88 MAPK11 (0.49) MAPK11MAPK14KCNH2ENPP2MAPK1
SCHEMBL6003913 0.87 MAPK11 (0.53) MAPK11MAPK14KCNH2ACKR3PLD1
SCHEMBL6004379 0.87 MAPK11 (0.51) MAPK11MAPK14KCNH2ACKR3PLD1
SCHEMBL6004871 0.87 MAPK11 (0.51) MAPK11MAPK14KCNH2ACKR3PLD1
SCHEMBL4761678 0.87 MAPK14 (0.52) MAPK11MAPK14KCNH2ACKR3MAPK1
SCHEMBL4761930 0.87 MAPK11 (0.51) MAPK11MAPK14KCNH2ACKR3PLD1
SCHEMBL6003598 0.87 MAPK11 (0.50) MAPK11MAPK14KCNH2ACKR3PLD1
SCHEMBL6004578 0.86 MAPK11 (0.54) MAPK11MAPK14KCNH2PLD1TLR7
SCHEMBL6004384 0.85 MAPK11 (0.57) MAPK11MAPK14KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 MAPK11 45/4885MAPK14 26/4885KCNH2 4599/4885

“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.