SCHEMBL4679983

SCHEMBL4679983

CS(=O)(=O)c1nccc(-c2c(-c3ccc(F)cc3)noc2CN2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.43
MAPK13 O15264 11/20 0.42
MAPK12 P53778 11/20 0.42
MAPK11 Q15759 11/20 0.42
MAPK14 Q16539 11/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PTGS2 P35354 4/20 0.41
JAK2 O60674 1/20 0.41
ALOX5 P09917 1/20 0.39

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
SCHEMBL4684079 0.83 PTGS2 (0.46) MAPK10MAPK11MAPK14PTGS2
SCHEMBL4677531 0.83 PTGS2 (0.46) MAPK10MAPK11MAPK14PTGS2
SCHEMBL4681320 0.80 PTGS2 (0.43) MAPK10MAPK11MAPK14PTGS2
SCHEMBL4681547 0.77 PTGS2 (0.41) MAPK10MAPK14PTGS2
SCHEMBL4677146 0.76 MAPK10 (0.61) MAPK10MAPK13MAPK12MAPK11MAPK14
SCHEMBL14591602 0.76 MAPK10 (0.61) MAPK10MAPK13MAPK12MAPK11MAPK14
SCHEMBL3100615 0.71 CSNK1D (0.44) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL2410945 0.70 RAB9A (0.56) PTGS2
SCHEMBL3096838 0.69 THRB (0.48) MAPK14PTGS2
SCHEMBL23795646 0.66 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218369-B1 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2008-07-23 EP disclosed
US-7169798-B2 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-30 US disclosed
US-7169798-B2 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-30 US disclosed
EP-1218369-A4 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2005-06-22 EP disclosed
US-20050026967-A1 Inhibitors of c-jun N terminal kinases (JNK) and other protein kinases GREEN JEREMY (US) 2005-02-03 US disclosed
US-6693108-B2 PYRIMIDINYL-GUANIDINE DERIVATIVES VERTEX PHARMACEUTICALS INCORPORATED 2004-02-17 US disclosed
US-20030149051-A1 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases VERTX PHARMACEUTICALS INCORPORATED 2003-08-07 US disclosed
EP-1218369-A1 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-07-03 EP disclosed
WO-2001012621-A1 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-02-22 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-20030149051-A1 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases MAPK1, PACSIN2, MAP3K1 MAPK10 140/4885MAPK13 133/4885MAPK12 66/4885
US-20050026967-A1 Inhibitors of c-jun N terminal kinases (JNK) and other protein kinases MAP3K2, CSNK1G2, MAP3K5 MAPK10 139/4885MAPK13 120/4885MAPK12 36/4885

“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.