SCHEMBL4174284

SCHEMBL4174284

CS(=O)(=O)c1nc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3ccccc3F)c2n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.48
MAPK13 O15264 11/20 0.48
MAPK12 P53778 11/20 0.48
MAPK11 Q15759 11/20 0.48
KCNH2 Q12809 1/20 0.48
GLA P06280 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
TDO2 P48775 1/20 0.35
IDO2 Q6ZQW0 1/20 0.35
BRD4 O60885 1/20 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
SCHEMBL4485577 0.94 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065984 0.92 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065169 0.90 MAPK14 (0.36) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4181561 0.90 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4463596 0.88 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065121 0.86 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4470368 0.85 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1059157 0.82 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL14201929 0.81 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL1065956 0.81 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11KCNH2

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 12 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
EP-1868612-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
WO-2006110298-A2 8-ALKYL/ARYL-4-ARYL-2-N- (ALKYLAMINO)-N'-SUBSTITUTED-N'-CYANOGUANIDINO-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE COMPOUNDS AND USE THEREOF GLAXO GROUP LIMITED (GB) 2006-10-19 WO 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 MAPK14 14/4885MAPK13 19/4885MAPK12 37/4885
US-20090005401-A1 Novel Compounds MAPKAPK2, CREBBP, MAPK8 MAPK14 53/4885MAPK13 51/4885MAPK12 39/4885
US-20090137550-A1 Novel Compounds MAPKAPK2, CREBBP, MAPK8 MAPK14 53/4885MAPK13 51/4885MAPK12 39/4885

“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.