SCHEMBL6004028

SCHEMBL6004028

CC(C)NC(=O)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C2CCN(C(=O)c3cccnc3)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 8/20 0.49
MAPK14 Q16539 8/20 0.49
KCNH2 Q12809 1/20 0.49
NAMPT P43490 1/20 0.42
PIM1 P11309 7/20 0.41
ALDH1A1 P00352 1/20 0.40
TLR7 Q9NYK1 2/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL6004384 0.92 MAPK11 (0.57) MAPK11MAPK14KCNH2NAMPTPIM1
SCHEMBL4763074 0.92 MAPK11 (0.49) MAPK11MAPK14KCNH2TLR7
SCHEMBL6004032 0.89 MAPK11 (0.48) MAPK11MAPK14KCNH2NAMPTPIM1
SCHEMBL6002700 0.88 MAPK11 (0.50) MAPK11MAPK14KCNH2NAMPTTLR7
SCHEMBL4827940 0.87 MAPK11 (0.61) MAPK11MAPK14KCNH2TLR7MAPK1
SCHEMBL6004379 0.85 MAPK11 (0.51) MAPK11MAPK14KCNH2TLR7
SCHEMBL6004871 0.85 MAPK11 (0.51) MAPK11MAPK14KCNH2TLR7
SCHEMBL6003913 0.85 MAPK11 (0.53) MAPK11MAPK14KCNH2TLR7MAPK1
SCHEMBL6003986 0.85 MAPK11 (0.48) MAPK11MAPK14KCNH2PIM1TLR7
SCHEMBL6003598 0.85 MAPK11 (0.50) MAPK11MAPK14KCNH2TLR7

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.