SCHEMBL4179221

SCHEMBL4179221

CS(=O)(=O)c1nc(-c2ccc(F)cc2)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.41
MAPK12 P53778 6/20 0.41
MAPK11 Q15759 6/20 0.41
MAPK14 Q16539 6/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 1/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TLR9 Q9NR96 1/20 0.36
PTGS2 P35354 11/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
PTGS1 P23219 2/20 0.33

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
SCHEMBL4181561 0.86 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1065956 0.85 MAPK14 (0.44) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1059157 0.84 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL14201929 0.83 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4169634 0.83 MAPK14 (0.46) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4470368 0.81 MAPK14 (0.45) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4463596 0.80 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL2720676 0.79 MAPK14 (0.43) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1064904 0.77 MAPK14 (0.41) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL1065208 0.76 MAT2A (0.37) KDM4EALDH1A1LMNASTAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137550-A1 Novel Compounds GLAXO GROUP LIMITED 2009-05-28 US disclosed
US-20090137550-A1 Novel Compounds GLAXO GROUP LIMITED 2009-05-28 US disclosed
US-20090137550-A1 Novel Compounds GLAXO GROUP LIMITED 2009-05-28 US disclosed
US-20090005401-A1 Novel Compounds GLAXO GROUP LIMITED 2009-01-01 US disclosed
US-20090005401-A1 Novel Compounds GLAXO GROUP LIMITED 2009-01-01 US disclosed
US-20090005401-A1 Novel Compounds GLAXO GROUP LIMITED 2009-01-01 US disclosed
US-7423042-B2 Compounds GLAXO GROUP LIMITED (GB) 2008-09-09 US disclosed
US-7423042-B2 Compounds GLAXO GROUP LIMITED (GB) 2008-09-09 US disclosed
US-7423042-B2 Compounds GLAXO GROUP LIMITED (GB) 2008-09-09 US disclosed
US-20060217401-A1 e.g. 8-Alkyl/Aryl-4-aryl-2-N-(alkylamino)-N''-substituted-N'-cyanoguanidino-8H-pyrido[2,3-d]pyrimidin-7-one compounds; CSBP/p38 kinase inhibitor; antiinflammatory agent; inflammatory bowel disease; tuberculosis, atherosclerosis, muscle degeneration, cachexia, psoriatic arthritis, rheumatoid arthritis GLAXO GROUP LIMITED (GB) 2006-09-28 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 (3 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-20060217401-A1 e.g. 8-Alkyl/Aryl-4-aryl-2-N-(alkylamino)-N''-substituted-N'-cyanoguanidino-8H-pyrido[2,3-d]pyrimidin-7-one compounds; CSBP/p38 kinase inhibitor; antiinflammatory agent; inflammatory bowel disease; tuberculosis, atherosclerosis, muscle degeneration, cachexia, psoriatic arthritis, rheumatoid arthritis MAPK8, MAPKAPK2, MAPK7 MAPK13 19/4885MAPK12 37/4885MAPK11 78/4885
US-20090005401-A1 Novel Compounds MAPKAPK2, CREBBP, MAPK8 MAPK13 51/4885MAPK12 39/4885MAPK11 77/4885
US-20090137550-A1 Novel Compounds MAPKAPK2, CREBBP, MAPK8 MAPK13 51/4885MAPK12 39/4885MAPK11 77/4885

“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.