SCHEMBL4097170

SCHEMBL4097170

CCOC(=O)CC(=O)CSc1nc(-c2ccc(F)cc2)c(-c2cc[nH]c(=O)c2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.55
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
EGFR P00533 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL4463764 0.76 MAPK14 (0.91) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL14033310 0.76 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL10372164 0.74 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11KDM4E
Hydrochloric Acid SCHEMBL11179423 0.73 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL4091788 0.70 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL4102181 0.70 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL10373282 0.70 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5762007 0.70 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL14033086 0.70 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2306164 0.70 CHEK1 (0.50) MAPK14MAPK13MAPK12MAPK11HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 US disclosed
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 WO 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 (2 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 MAPK14 136/4885MAPK13 99/4885MAPK12 111/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 MAPK14 136/4885MAPK13 99/4885MAPK12 111/4885

“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.