SCHEMBL6004539

SCHEMBL6004539

CCNC(=O)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C2CCN(C(=O)CO)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 13/20 0.51
MAPK14 Q16539 13/20 0.51
KCNH2 Q12809 1/20 0.51
PIN1 Q13526 1/20 0.41
MAP4K4 O95819 1/20 0.40
EGFR P00533 1/20 0.40
PRKACA P17612 1/20 0.40
FRK P42685 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
PREP P48147 1/20 0.40
FAP Q12884 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
ACKR3 P25106 2/20 0.38
TLR7 Q9NYK1 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
SCHEMBL4761929 0.94 MAPK11 (0.50) MAPK11MAPK14KCNH2PIN1MAP4K4
SCHEMBL6002821 0.92 MAPK11 (0.49) MAPK11MAPK14KCNH2PIN1MAP4K4
SCHEMBL4761930 0.90 MAPK11 (0.51) MAPK11MAPK14KCNH2PIN1MAP4K4
SCHEMBL6004425 0.88 MAPK11 (0.56) MAPK11MAPK14KCNH2PIN1MAP4K4
SCHEMBL6004581 0.88 MAPK11 (0.53) MAPK11MAPK14KCNH2CSNK1DPREP
SCHEMBL4722585 0.88 MAPK11 (0.48) MAPK11MAPK14KCNH2ACKR3
SCHEMBL4761409 0.87 MAPK11 (0.52) MAPK11MAPK14KCNH2MAPK9CSNK1D
SCHEMBL6004398 0.85 MAPK11 (0.46) MAPK11MAPK14KCNH2PREPFAP
SCHEMBL6004578 0.84 MAPK11 (0.54) MAPK11MAPK14KCNH2PIN1CSNK1D
SCHEMBL6003915 0.84 MAPK11 (0.51) MAPK11MAPK14KCNH2PREPFAP

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.