SCHEMBL13928124

SCHEMBL13928124

COOSc1ccc(-c2cn[nH]c(=O)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
RET P07949 1/20 0.38
MAP2K1 Q02750 1/20 0.38
MAP4K2 Q12851 1/20 0.38
MAPK14 Q16539 3/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
TGFBR1 P36897 2/20 0.36
PIK3CA P42336 1/20 0.34
KMT2A Q03164 1/20 0.33
ALPL P05186 1/20 0.33
MAPT P10636 1/20 0.33
GSK3B P49841 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31

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
SCHEMBL4183686 0.83 PTGS1 (0.43) JAK2RETMAP2K1MAP4K2MAPK14
SCHEMBL4800330 0.76 MAPK14 (0.63) JAK2RETMAP2K1MAP4K2MAPK14
SCHEMBL3867881 0.74 PTGS2 (0.54) PTGS1PTGS2
SCHEMBL13928121 0.73 PTGS2 (0.56) PTGS1PTGS2
SCHEMBL15577465 0.72 MAPK14 (0.45) JAK2RETMAP2K1MAP4K2MAPK14
SCHEMBL27470573 0.71 MAPK14 (0.40) JAK2RETMAP2K1MAP4K2MAPK14
SCHEMBL17016672 0.70 TGFBR1 (0.49) JAK2RETMAP2K1MAP4K2MAPK14
SCHEMBL13950787 0.69 JAK2 (0.38) JAK2RETMAP2K1MAP4K2MAPK14
SCHEMBL4049176 0.68 MAPT (0.47) MAPK14TGFBR1PIK3CAKMT2AMAPT
SCHEMBL4038600 0.68 KMT2A (0.54) MAPK14KMT2AMAPTGSK3B

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-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 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-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 JAK2 3276/4885RET 4669/4885MAP2K1 1777/4885

“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.