SCHEMBL6004425

SCHEMBL6004425

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 15/20 0.56
MAPK14 Q16539 15/20 0.56
KCNH2 Q12809 1/20 0.53
MAP4K4 O95819 1/20 0.43
EGFR P00533 1/20 0.43
PRKACA P17612 1/20 0.43
FRK P42685 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
CPT1A P50416 1/20 0.37
LMNA P02545 1/20 0.37
PIN1 Q13526 1/20 0.37

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
SCHEMBL4824475 0.94 MAPK11 (0.51) MAPK11MAPK14KCNH2MAP4K4EGFR
SCHEMBL6004539 0.88 MAPK11 (0.51) MAPK11MAPK14KCNH2MAP4K4EGFR
SCHEMBL4761930 0.88 MAPK11 (0.51) MAPK11MAPK14KCNH2MAP4K4EGFR
SCHEMBL4761929 0.87 MAPK11 (0.50) MAPK11MAPK14KCNH2MAP4K4EGFR
SCHEMBL6002821 0.86 MAPK11 (0.49) MAPK11MAPK14KCNH2MAP4K4EGFR
SCHEMBL4761505 0.85 MAPK11 (0.52) MAPK11MAPK14KCNH2
SCHEMBL4824481 0.84 MAPK11 (0.47) MAPK11MAPK14KCNH2MAP4K4EGFR
SCHEMBL3373577 0.84 MAPK11 (0.59) MAPK11MAPK14KCNH2MAPK9LMNA
SCHEMBL6004578 0.82 MAPK11 (0.54) MAPK11MAPK14KCNH2CSNK1DPIN1
SCHEMBL6004581 0.81 MAPK11 (0.53) MAPK11MAPK14KCNH2CSNK1D

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.